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Todd Martinez, Ph.D. - Publications

Affiliations: 
1996-2009 University of Illinois, Urbana-Champaign, Urbana-Champaign, IL 
 2009- Stanford University, Palo Alto, CA 
Area:
theoretical chemistry
Website:
http://mtzweb.stanford.edu/mtz/
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Year Citation  Score
2024 Hait D, Martínez TJ. Predicting the X-ray Absorption Spectrum of Ozone with Single Configuration State Functions. Journal of Chemical Theory and Computation. 20: 873-881. PMID 38175153 DOI: 10.1021/acs.jctc.3c01035  0.307
2023 Rana B, Hohenstein EG, Martínez TJ. Simulating the Excited-State Dynamics of Polaritons with Ab Initio Multiple Spawning. The Journal of Physical Chemistry. A. PMID 38110364 DOI: 10.1021/acs.jpca.3c06607  0.304
2023 Shamsudin Y, Walker AR, Jones CM, Martínez TJ, Boxer SG. Simulation-guided engineering of split GFPs with efficient β-strand photodissociation. Nature Communications. 14: 7401. PMID 37973981 DOI: 10.1038/s41467-023-42954-4  0.745
2023 Liu L, Fang WH, Martinez TJ. A Nitrogen Out-of-Plane (NOOP) Mechanism for Imine-Based Light-Driven Molecular Motors. Journal of the American Chemical Society. PMID 36920260 DOI: 10.1021/jacs.3c00275  0.402
2023 Cruzeiro VWD, Wang Y, Pieri E, Hohenstein EG, Martínez TJ. TeraChem protocol buffers (TCPB): Accelerating QM and QM/MM simulations with a client-server model. The Journal of Chemical Physics. 158: 044801. PMID 36725506 DOI: 10.1063/5.0130886  0.802
2022 Wang Y, Seritan S, Lahana D, Ford JE, Valentini A, Hohenstein EG, Martínez TJ. InteraChem: Exploring Excited States in Virtual Reality with Interactive Molecular Dynamics. Journal of Chemical Theory and Computation. 18: 3308-3317. PMID 35649124 DOI: 10.1021/acs.jctc.2c00005  0.388
2022 Cornetta LM, Martinez TJ, Varella MTDN. Dissociative electron attachment to 5-bromo-uracil: non-adiabatic dynamics on complex-valued potential energy surfaces. Physical Chemistry Chemical Physics : Pccp. 24: 6845-6855. PMID 35253036 DOI: 10.1039/d1cp05663h  0.356
2022 Hohenstein EG, Fales BS, Parrish RM, Martínez TJ. Rank-reduced coupled-cluster. III. Tensor hypercontraction of the doubles amplitudes. The Journal of Chemical Physics. 156: 054102. PMID 35135289 DOI: 10.1063/5.0077770  0.797
2021 List NH, Jones CM, Martínez TJ. Internal conversion of the anionic GFP chromophore: in and out of the I-twisted S/S conical intersection seam. Chemical Science. 13: 373-385. PMID 35126970 DOI: 10.1039/d1sc05849e  0.332
2021 Smith DGA, Lolinco AT, Glick ZL, Lee J, Alenaizan A, Barnes TA, Borca CH, Di Remigio R, Dotson DL, Ehlert S, Heide AG, Herbst MF, Hermann J, Hicks CB, Horton JT, et al. Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs. The Journal of Chemical Physics. 155: 204801. PMID 34852489 DOI: 10.1063/5.0059356  0.789
2021 Walker AR, Wu B, Meisner J, Fayer MD, Martínez TJ. Proton Transfer from a Photoacid to a Water Wire: First Principles Simulations and Fast Fluorescence Spectroscopy. The Journal of Physical Chemistry. B. PMID 34743512 DOI: 10.1021/acs.jpcb.1c07254  0.753
2021 Hohenstein EG, Yu JK, Bannwarth C, List NH, Paul AC, Folkestad SD, Koch H, Martínez TJ. Predictions of Pre-edge Features in Time-Resolved Near-Edge X-ray Absorption Fine Structure Spectroscopy from Hole-Hole Tamm-Dancoff-Approximated Density Functional Theory. Journal of Chemical Theory and Computation. PMID 34623139 DOI: 10.1021/acs.jctc.1c00478  0.339
2021 Williams M, Forbes R, Weir H, Veyrinas K, MacDonell RJ, Boguslavskiy AE, Schuurman MS, Stolow A, Martinez TJ. Unmasking the -Stilbene Phantom State via Vacuum Ultraviolet Time-Resolved Photoelectron Spectroscopy and Multiple Spawning. The Journal of Physical Chemistry Letters. 6363-6369. PMID 34231356 DOI: 10.1021/acs.jpclett.1c01227  0.358
2021 Pieri E, Lahana D, Chang AM, Aldaz CR, Thompson KC, Martínez TJ. The non-adiabatic nanoreactor: towards the automated discovery of photochemistry. Chemical Science. 12: 7294-7307. PMID 34163820 DOI: 10.1039/d1sc00775k  0.816
2021 Liang R, Yu JK, Meisner J, Liu F, Martinez TJ. Electrostatic Control of Photoisomerization in Channelrhodopsin 2. Journal of the American Chemical Society. PMID 33794085 DOI: 10.1021/jacs.1c00058  0.695
2021 Ibele LM, Lassmann Y, Martínez TJ, Curchod BFE. Comparing (stochastic-selection) ab initio multiple spawning with trajectory surface hopping for the photodynamics of cyclopropanone, fulvene, and dithiane. The Journal of Chemical Physics. 154: 104110. PMID 33722031 DOI: 10.1063/5.0045572  0.815
2021 Liu F, Filatov M, Martínez TJ. Analytical derivatives of the individual state energies in ensemble density functional theory. II. Implementation on graphical processing units (GPUs). The Journal of Chemical Physics. 154: 104108. PMID 33722027 DOI: 10.1063/5.0041389  0.717
2021 Brown CL, Bowser BH, Meisner J, Kouznetsova TB, Seritan S, Martinez TJ, Craig SL. Substituent Effects in Mechanochemical Allowed and Forbidden Cyclobutene Ring-Opening Reactions. Journal of the American Chemical Society. PMID 33667078 DOI: 10.1021/jacs.0c12088  0.552
2021 Zhuang H, Keith J, Martinez T. A Tribute to Emily A. Carter. The Journal of Physical Chemistry. A. 125: 1669-1670. PMID 33657811 DOI: 10.1021/acs.jpca.0c10468  0.649
2020 Yu JK, Bannwarth C, Liang R, Hohenstein EG, Martínez TJ. Nonadiabatic Dynamics Simulation of the Wavelength-Dependent Photochemistry of Azobenzene Excited to the nπ* and ππ* Excited States. Journal of the American Chemical Society. PMID 33228358 DOI: 10.1021/jacs.0c09056  0.346
2020 Li X, Parrish RM, Martínez TJ. An ab initio exciton model for singlet fission. The Journal of Chemical Physics. 153: 184116. PMID 33187442 DOI: 10.1063/5.0028605  0.36
2020 Duan HG, Jha A, Li X, Tiwari V, Ye H, Nayak PK, Zhu XL, Li Z, Martinez TJ, Thorwart M, Miller RJD. Intermolecular vibrations mediate ultrafast singlet fission. Science Advances. 6. PMID 32948583 DOI: 10.1126/Sciadv.Abb0052  0.32
2020 Sanchez DM, Raucci U, Ferreras KN, Martínez TJ. Putting Photomechanical Switches to Work: An Ab Initio Multiple Spawning Study of Donor Acceptor Stenhouse Adducts. The Journal of Physical Chemistry Letters. PMID 32864975 DOI: 10.1021/acs.jpclett.0c02401  0.331
2020 Thomaz JE, Walker AR, Van Wyck SJ, Meisner J, Martínez TJ, Fayer MD. Proton Transfer Dynamics in the Aprotic Proton Accepting Solvent 1-Methylimidazole. The Journal of Physical Chemistry. B. PMID 32790382 DOI: 10.1021/Acs.Jpcb.0C05525  0.761
2020 Yu JK, Bannwarth C, Hohenstein EG, Martínez TJ. Ab Initio Nonadiabatic Molecular Dynamics with Hole-Hole Tamm-Dancoff Approximated Density Functional Theory. Journal of Chemical Theory and Computation. PMID 32786902 DOI: 10.1021/Acs.Jctc.0C00644  0.395
2020 Fedorov DA, Seritan S, Fales BS, Martínez TJ, Levine BG. PySpawn: Software for Nonadiabatic Quantum Molecular Dynamics. Journal of Chemical Theory and Computation. PMID 32687710 DOI: 10.1021/Acs.Jctc.0C00575  0.807
2020 Bannwarth C, Yu JK, Hohenstein EG, Martínez TJ. Hole-hole Tamm-Dancoff-approximated density functional theory: A highly efficient electronic structure method incorporating dynamic and static correlation. The Journal of Chemical Physics. 153: 024110. PMID 32668944 DOI: 10.1063/5.0003985  0.333
2020 Curchod BFE, Glover WJ, Martínez TJ. SSAIMS - Stochastic-Selection Ab Initio Multiple Spawning for Efficient Nonadiabatic Molecular Dynamics. The Journal of Physical Chemistry. A. PMID 32580552 DOI: 10.1021/Acs.Jpca.0C04113  0.777
2020 Song C, Martínez TJ. Reduced scaling extended multi-state CASPT2 (XMS-CASPT2) using supporting subspaces and tensor hyper-contraction. The Journal of Chemical Physics. 152: 234113. PMID 32571032 DOI: 10.1063/5.0007417  0.31
2020 Fales BS, Curtis ER, Johnson KG, Lahana D, Seritan S, Wang Y, Weir H, Martínez TJ, Hohenstein EG. Performance of Coupled-Cluster Singles and Doubles on Modern Stream Processing Architectures. Journal of Chemical Theory and Computation. PMID 32567305 DOI: 10.1021/Acs.Jctc.0C00336  0.776
2020 Seritan S, Bannwarth C, Fales BS, Hohenstein EG, Kokkila-Schumacher SIL, Luehr N, Snyder JW, Song C, Titov AV, Ufimtsev IS, Martínez TJ. TeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units. The Journal of Chemical Physics. 152: 224110. PMID 32534542 DOI: 10.1063/5.0007615  0.809
2020 Fales BS, Martínez TJ. Fast transformations between configuration state function and Slater determinant bases for direct configuration interaction. The Journal of Chemical Physics. 152: 164111. PMID 32357800 DOI: 10.1063/5.0005155  0.79
2020 Fales BS, Martínez TJ. Efficient Treatment of Large Active Spaces through Multi-GPU Parallel Implementation of Direct Configuration Interaction. Journal of Chemical Theory and Computation. PMID 31995369 DOI: 10.1021/Acs.Jctc.9B01165  0.803
2019 Erickson BA, Heim Z, Pieri E, Liu E, Martínez TJ, Neumark DM. Relaxation Dynamics of Hydrated Thymine, Thymidine, and Thymidine Monophosphate Probed by Liquid Jet Time-Resolved Photoelectron Spectroscopy. The Journal of Physical Chemistry. A. PMID 31756106 DOI: 10.1021/Acs.Jpca.9B08258  0.798
2019 Yu J, Liang R, Liu F, Martínez TJ. First Principles Characterization of the Elusive I Fluorescent State and the Structural Evolution of Retinal Protonated Schiff Base in Bacteriorhodopsin. Journal of the American Chemical Society. PMID 31621314 DOI: 10.1021/jacs.9b08941  0.728
2019 Valleau S, Martínez TJ. Reaction Dynamics of Cyanohydrins With Hydrosulfide in Water. The Journal of Physical Chemistry. A. PMID 31348667 DOI: 10.1021/Acs.Jpca.9B05735  0.763
2019 Wolf TJA, Parrish RM, Myhre RH, Martínez TJ, Koch H, Gühr M. Observation of Ultrafast Intersystem Crossing in Thymine by Extreme Ultraviolet Time-resolved Photoelectron Spectroscopy. The Journal of Physical Chemistry. A. PMID 31319031 DOI: 10.1021/acs.jpca.9b05573  0.316
2019 Timmers H, Zhu X, Li Z, Kobayashi Y, Sabbar M, Hollstein M, Reduzzi M, Martínez TJ, Neumark DM, Leone SR. Disentangling conical intersection and coherent molecular dynamics in methyl bromide with attosecond transient absorption spectroscopy. Nature Communications. 10: 3133. PMID 31311933 DOI: 10.1038/S41467-019-10789-7  0.348
2019 Ashfold M, Bender J, Bittner E, Cina J, Crespo-Hernández CE, das Neves Rodrigues N, Dawlaty J, Dill R, Dodin A, Duchi M, Estergreen L, Gate G, Gaynor J, Ginsberg N, Grieco C, ... ... Martinez T, et al. Photovoltaics and bio-inspired light harvesting: general discussion. Faraday Discussions. PMID 31270516 DOI: 10.1039/C9Fd90028D  0.433
2019 Punwong C, Hannongbua S, Martínez TJ. Electrostatic Influence on Photoisomerization in Bacteriorhodopsin and Halorhodopsin. The Journal of Physical Chemistry. B. PMID 31149826 DOI: 10.1021/Acs.Jpcb.9B01837  0.794
2019 Liang R, Liu F, Martínez TJ. Nonadiabatic Photodynamics of Retinal Protonated Schiff Base in Channelrhodopsin 2. The Journal of Physical Chemistry Letters. 2862-2868. PMID 31083920 DOI: 10.1021/acs.jpclett.9b00701  0.657
2019 Sachse T, Martínez TJ, Presselt M. On combining the conductor-like screening model and optimally tuned range-separated hybrid density functionals. The Journal of Chemical Physics. 150: 174117. PMID 31067895 DOI: 10.1063/1.5064730  0.303
2019 Wilkin KJ, Parrish RM, Yang J, Wolf TJA, Nunes JPF, Guehr M, Li R, Shen X, Zheng Q, Wang X, Martinez TJ, Centurion M. Diffractive imaging of dissociation and ground-state dynamics in a complex molecule Physical Review A. 100. DOI: 10.1103/Physreva.100.023402  0.301
2018 Herrmann-Westendorf F, Sachse T, Schulz M, Kaufmann M, Sivakov V, Beckert R, Martínez TJ, Dietzek B, Presselt M. Photo-Annealing of Merocyanine Aggregates. The Journal of Physical Chemistry. A. PMID 30500206 DOI: 10.1021/Acs.Jpca.8B09048  0.352
2018 Pinney M, Natarajan A, Yabukarski F, Sanchez DM, Liu F, Liang R, Doukov TI, Schwans JP, Martínez TJ, Herschlag D. Structural Coupling Throughout the Active Site Hydrogen Bond Networks of Ketosteroid Isomerase and Photoactive Yellow Protein. Journal of the American Chemical Society. PMID 29990421 DOI: 10.1021/Jacs.8B01596  0.638
2018 Fales BS, Seritan S, Settje NF, Levine BG, Koch H, Martínez TJ. Large Scale Electron Correlation Calculations: Rank-Reduced Full Configuration Interaction. Journal of Chemical Theory and Computation. PMID 29889519 DOI: 10.1021/Acs.Jctc.8B00382  0.808
2018 Boguslavskiy AE, Schalk O, Gador N, Glover WJ, Mori T, Schultz T, Schuurman MS, Martínez TJ, Stolow A. Excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene. I. Time-resolved photoelectron-photoion coincidence spectroscopy. The Journal of Chemical Physics. 148: 164302. PMID 29716221 DOI: 10.1063/1.5016452  0.783
2018 Glover WJ, Mori T, Schuurman MS, Boguslavskiy AE, Schalk O, Stolow A, Martínez TJ. Excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene. II. Ab initio multiple spawning simulations. The Journal of Chemical Physics. 148: 164303. PMID 29716209 DOI: 10.1063/1.5018130  0.789
2018 Curchod BFE, Martínez TJ. Ab Initio Nonadiabatic Quantum Molecular Dynamics. Chemical Reviews. PMID 29465231 DOI: 10.1021/Acs.Chemrev.7B00423  0.383
2018 Li TE, Nitzan A, Sukharev M, Martinez T, Chen H, Subotnik JE. Mixed quantum-classical electrodynamics: Understanding spontaneous decay and zero-point energy Physical Review A. 97. DOI: 10.1103/Physreva.97.032105  0.438
2018 Liu F, Sanchez DM, Kulik HJ, Martínez TJ. Exploiting graphical processing units to enable quantum chemistry calculation of large solvated molecules with conductor-like polarizable continuum models International Journal of Quantum Chemistry. 119: e25760. DOI: 10.1002/qua.25760  0.704
2017 Hollas D, Šištík L, Hohenstein EG, Martínez TJ, Slavicek P. Non-Adiabatic Ab Initio Molecular Dynamics with Floating Occupation Molecular Orbitals CASCI method. Journal of Chemical Theory and Computation. PMID 29207238 DOI: 10.1021/Acs.Jctc.7B00958  0.831
2017 Banerjee S, Liu F, Sanchez DM, Martínez TJ, Zare RN. Pomeranz-Fritsch Synthesis of Isoquinoline: Gas-Phase Collisional Activation Opens Additional Reaction Pathways. Journal of the American Chemical Society. PMID 28949532 DOI: 10.1021/Jacs.7B06813  0.639
2017 Filatov M, Martínez TJ, Kim KS. Description of ground and excited electronic states by ensemble density functional method with extended active space. The Journal of Chemical Physics. 147: 064104. PMID 28810777 DOI: 10.1063/1.4996873  0.328
2017 Filatov M, Liu F, Martínez TJ. Analytical derivatives of the individual state energies in ensemble density functional theory method. I. General formalism. The Journal of Chemical Physics. 147: 034113. PMID 28734302 DOI: 10.1063/1.4994542  0.71
2017 Li X, Parrish RM, Liu F, Kokkila Schumacher SIL, Martínez TJ. An Ab Initio Exciton Model Including Charge-Transfer Excited States. Journal of Chemical Theory and Computation. PMID 28617595 DOI: 10.1021/acs.jctc.7b00171  0.707
2017 Snyder JW, Parrish RM, Martínez TJ. α-CASSCF: An Efficient, Empirical Correction for SA-CASSCF To Closely Approximate MS-CASPT2 Potential Energy Surfaces. The Journal of Physical Chemistry Letters. 2432-2437. PMID 28513165 DOI: 10.1021/acs.jpclett.7b00940  0.308
2017 Snyder JW, Fales BS, Hohenstein EG, Levine BG, Martínez TJ. A direct-compatible formulation of the coupled perturbed complete active space self-consistent field equations on graphical processing units. The Journal of Chemical Physics. 146: 174113. PMID 28477593 DOI: 10.1063/1.4979844  0.795
2017 Sisto A, Stross C, van der Kamp MW, O'Connor M, McIntosh-Smith S, Johnson GT, Hohenstein EG, Manby FR, Glowacki DR, Martinez TJ. Atomistic non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model. Physical Chemistry Chemical Physics : Pccp. PMID 28430270 DOI: 10.1039/C7Cp00492C  0.383
2017 Wang LP, McKiernan KA, Gomes J, Beauchamp KA, Head-Gordon T, Rice JE, Swope WC, Martínez TJ, Pande VS. Building a More Predictive Protein Force Field: A Systematic and Reproducible Route to AMBER-FB15. The Journal of Physical Chemistry. B. PMID 28306259 DOI: 10.1021/Acs.Jpcb.7B02320  0.681
2016 Filatov M, Liu F, Kim KS, Martínez TJ. Self-consistent implementation of ensemble density functional theory method for multiple strongly correlated electron pairs. The Journal of Chemical Physics. 145: 244104. PMID 28010071 DOI: 10.1063/1.4972174  0.695
2016 Curchod BF, Sisto A, Martínez TJ. Ab Initio Multiple Spawning Photochemical Dynamics of DMABN Using GPUs. The Journal of Physical Chemistry. A. PMID 27976899 DOI: 10.1021/Acs.Jpca.6B09962  0.743
2016 Mignolet B, Curchod BF, Martínez TJ. Communication: XFAIMS-eXternal Field Ab Initio Multiple Spawning for electron-nuclear dynamics triggered by short laser pulses. The Journal of Chemical Physics. 145: 191104. PMID 27875877 DOI: 10.1063/1.4967761  0.706
2016 Mignolet B, Curchod BF, Martínez TJ. Rich Athermal Ground-State Chemistry Triggered by Dynamics through a Conical Intersection. Angewandte Chemie (International Ed. in English). PMID 27781367 DOI: 10.1002/Anie.201607633  0.742
2016 Kulik HJ, Zhang J, Klinman JP, Martínez TJ. How Large Should the QM Region Be in QM/MM Calculations? The Case of Catechol O-methyltransferase. The Journal of Physical Chemistry. B. PMID 27704827 DOI: 10.1021/Acs.Jpcb.6B07814  0.707
2016 Kulik HJ, Seelam N, Mar BD, Martínez TJ. Adapting DFT+U for the Chemically-Motivated Correction of Minimal Basis Set Incompleteness. The Journal of Physical Chemistry. A. PMID 27383567 DOI: 10.1021/acs.jpca.6b04527  0.693
2016 Snyder JW, Curchod BF, Martínez TJ. GPU-Accelerated State-Averaged CASSCF Interfaced with Ab Initio Multiple Spawning Unravels the Photodynamics of Provitamin D3. The Journal of Physical Chemistry Letters. PMID 27266759 DOI: 10.1021/Acs.Jpclett.6B00970  0.764
2016 Parrish RM, Liu F, Martínez TJ. Communication: A difference density picture for the self-consistent field ansatz. The Journal of Chemical Physics. 144: 131101. PMID 27059555 DOI: 10.1063/1.4945277  0.672
2016 Curchod BF, Rauer C, Marquetand P, González L, Martínez TJ. Communication: GAIMS-Generalized Ab Initio Multiple Spawning for both internal conversion and intersystem crossing processes. The Journal of Chemical Physics. 144: 101102. PMID 26979674 DOI: 10.1063/1.4943571  0.713
2016 Plotnikov NV, Martinez TJ. Molecular Origin of Mechanical Sensitivity of the Reaction Rate in Anthracene Cyclophane Isomerization Reveals Structural Motifs for Rational Design of Mechanophores Journal of Physical Chemistry C. 120: 17898-17908. DOI: 10.1021/Acs.Jpcc.6B04924  0.72
2016 Ren Y, Lee S, Christensen JM, Plotnikov NV, Burgess M, Martínez TJ, Dlott DD, Moore JS. Pressure-Induced Neutral-to-Ionic Transition in an Amorphous Organic Material Chemistry of Materials. 28: 6446-6449. DOI: 10.1021/Acs.Chemmater.6B02703  0.672
2015 Wang LP, McGibbon RT, Pande VS, Martínez TJ. Automated Discovery and Refinement of Reactive Molecular Dynamics Pathways. Journal of Chemical Theory and Computation. PMID 26683346 DOI: 10.1021/Acs.Jctc.5B00830  0.711
2015 Liu L, Liu J, Martínez TJ. Dynamical Correlation Effects on Photoisomerization: Ab Initio Multiple Spawning Dynamics with MS-CASPT2 for a Model trans-Protonated Schiff Base. The Journal of Physical Chemistry. B. PMID 26679298 DOI: 10.1021/Acs.Jpcb.5B09838  0.558
2015 Song C, Wang LP, Martínez TJ. Automated Code Engine for Graphical Processing Units: Application to the Effective Core Potential Integrals and Gradients. Journal of Chemical Theory and Computation. PMID 26586267 DOI: 10.1021/Acs.Jctc.5B00790  0.566
2015 Liu F, Luehr N, Kulik HJ, Martínez TJ. Quantum Chemistry for Solvated Molecules on Graphical Processing Units Using Polarizable Continuum Models. Journal of Chemical Theory and Computation. 11: 3131-3144. PMID 26575750 DOI: 10.1021/Acs.Jctc.5B00370  0.804
2015 Kokkila Schumacher SI, Hohenstein EG, Parrish RM, Wang LP, Martínez TJ. Tensor Hypercontraction Second-Order Møller-Plesset Perturbation Theory: Grid Optimization and Reaction Energies. Journal of Chemical Theory and Computation. 11: 3042-3052. PMID 26575741 DOI: 10.1021/Acs.Jctc.5B00272  0.621
2015 Luehr N, Jin AG, Martínez TJ. Ab Initio Interactive Molecular Dynamics on Graphical Processing Units (GPUs). Journal of Chemical Theory and Computation. 11: 4536-44. PMID 26574246 DOI: 10.1021/Acs.Jctc.5B00419  0.796
2015 Snyder JW, Hohenstein EG, Luehr N, Martínez TJ. An atomic orbital-based formulation of analytical gradients and nonadiabatic coupling vector elements for the state-averaged complete active space self-consistent field method on graphical processing units. The Journal of Chemical Physics. 143: 154107. PMID 26493897 DOI: 10.1063/1.4932613  0.8
2015 Wang J, Ong MT, Kouznetsova TB, Lenhardt JM, Martínez TJ, Craig SL. Catch and Release: Orbital Symmetry Guided Reaction Dynamics from a Freed "Tension Trapped Transition State". The Journal of Organic Chemistry. PMID 26322681 DOI: 10.1021/Acs.Joc.5B01493  0.702
2015 Song C, Wang LP, Sachse T, Preiß J, Presselt M, Martínez TJ. Efficient implementation of effective core potential integrals and gradients on graphical processing units. The Journal of Chemical Physics. 143: 014114. PMID 26156472 DOI: 10.1063/1.4922844  0.647
2015 Hohenstein EG, Bouduban ME, Song C, Luehr N, Ufimtsev IS, Martínez TJ. Analytic first derivatives of floating occupation molecular orbital-complete active space configuration interaction on graphical processing units. The Journal of Chemical Physics. 143: 014111. PMID 26156469 DOI: 10.1063/1.4923259  0.815
2015 Zhang J, Kulik HJ, Martinez TJ, Klinman JP. Mediation of donor-acceptor distance in an enzymatic methyl transfer reaction. Proceedings of the National Academy of Sciences of the United States of America. 112: 7954-9. PMID 26080432 DOI: 10.1073/Pnas.1506792112  0.713
2015 Hohenstein EG, Luehr N, Ufimtsev IS, Martínez TJ. An atomic orbital-based formulation of the complete active space self-consistent field method on graphical processing units. The Journal of Chemical Physics. 142: 224103. PMID 26071697 DOI: 10.1063/1.4921956  0.787
2015 Beenken W, Maes W, Kruk M, Martínez T, Presselt M. Origin of the Individual Basicity of Corrole NH-Tautomers: A Quantum Chemical Study on Molecular Structure and Dynamics, Kinetics, and Thermodynamics. The Journal of Physical Chemistry. A. 119: 6875-83. PMID 26052732 DOI: 10.1021/Acs.Jpca.5B02869  0.348
2015 Presselt M, Dehaen W, Maes W, Klamt A, Martínez T, Beenken WJ, Kruk M. Quantum chemical insights into the dependence of porphyrin basicity on the meso-aryl substituents: thermodynamics, buckling, reaction sites and molecular flexibility. Physical Chemistry Chemical Physics : Pccp. 17: 14096-106. PMID 25959745 DOI: 10.1039/C5Cp01808K  0.404
2015 Preiß J, Jäger M, Rau S, Dietzek B, Popp J, Martínez T, Presselt M. How Does Peripheral Functionalization of Ruthenium(II)-Terpyridine Complexes Affect Spatial Charge Redistribution after Photoexcitation at the Franck-Condon Point? Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 16: 1395-404. PMID 25898828 DOI: 10.1002/Cphc.201500223  0.384
2015 Wang J, Kouznetsova TB, Niu Z, Ong MT, Klukovich HM, Rheingold AL, Martinez TJ, Craig SL. Inducing and quantifying forbidden reactivity with single-molecule polymer mechanochemistry. Nature Chemistry. 7: 323-7. PMID 25803470 DOI: 10.1038/Nchem.2185  0.66
2015 Punwong C, Owens J, Martínez TJ. Direct QM/MM excited-state dynamics of retinal protonated Schiff base in isolation and methanol solution. The Journal of Physical Chemistry. B. 119: 704-14. PMID 25178510 DOI: 10.1021/Jp5038798  0.823
2014 Wang LP, Martinez TJ, Pande VS. Building Force Fields: An Automatic, Systematic, and Reproducible Approach. The Journal of Physical Chemistry Letters. 5: 1885-91. PMID 26273869 DOI: 10.1021/Jz500737M  0.67
2014 Joalland B, Mori T, Martínez TJ, Suits AG. Photochemical Dynamics of Ethylene Cation C2H4(.). The Journal of Physical Chemistry Letters. 5: 1467-71. PMID 26269995 DOI: 10.1021/jz500352x  0.35
2014 Wang LP, Titov A, McGibbon R, Liu F, Pande VS, Martínez TJ. Discovering chemistry with an ab initio nanoreactor. Nature Chemistry. 6: 1044-8. PMID 25411881 DOI: 10.1038/Nchem.2099  0.801
2014 Gaenko A, DeFusco A, Varganov SA, Martínez TJ, Gordon MS. Interfacing the Ab initio multiple spawning method with electronic structure methods in GAMESS: Photodecay of trans-azomethane. The Journal of Physical Chemistry. A. 118: 10902-8. PMID 25329724 DOI: 10.1021/Jp508242J  0.387
2014 Sisto A, Glowacki DR, Martinez TJ. Ab initio nonadiabatic dynamics of multichromophore complexes: a scalable graphical-processing-unit-accelerated exciton framework. Accounts of Chemical Research. 47: 2857-66. PMID 25186064 DOI: 10.1021/Ar500229P  0.318
2014 Makhov DV, Glover WJ, Martinez TJ, Shalashilin DV. Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics. The Journal of Chemical Physics. 141: 054110. PMID 25106573 DOI: 10.1063/1.4891530  0.788
2014 McFarland BK, Farrell JP, Miyabe S, Tarantelli F, Aguilar A, Berrah N, Bostedt C, Bozek JD, Bucksbaum PH, Castagna JC, Coffee RN, Cryan JP, Fang L, Feifel R, Gaffney KJ, ... ... Martinez TJ, et al. Ultrafast X-ray Auger probing of photoexcited molecular dynamics. Nature Communications. 5: 4235. PMID 24953740 DOI: 10.1038/Ncomms5235  0.307
2014 Diesendruck CE, Peterson GI, Kulik HJ, Kaitz JA, Mar BD, May PA, White SR, Martínez TJ, Boydston AJ, Moore JS. Mechanically triggered heterolytic unzipping of a low-ceiling-temperature polymer. Nature Chemistry. 6: 623-8. PMID 24950333 DOI: 10.1038/Nchem.1938  0.655
2014 Wolf TJ, Kuhlman TS, Schalk O, Martínez TJ, Møller KB, Stolow A, Unterreiner AN. Hexamethylcyclopentadiene: time-resolved photoelectron spectroscopy and ab initio multiple spawning simulations. Physical Chemistry Chemical Physics : Pccp. 16: 11770-9. PMID 24817114 DOI: 10.1039/C4Cp00977K  0.346
2014 Luehr N, Markland TE, Martínez TJ. Multiple time step integrators in ab initio molecular dynamics. The Journal of Chemical Physics. 140: 084116. PMID 24588157 DOI: 10.1063/1.4866176  0.806
2014 Spector LS, Artamonov M, Miyabe S, Martinez T, Seideman T, Guehr M, Bucksbaum PH. Axis-dependence of molecular high harmonic emission in three dimensions. Nature Communications. 5: 3190. PMID 24504181 DOI: 10.1038/Ncomms4190  0.312
2014 Wang L, Titov A, McGibbon R, Liu F, Pande VS, Martínez TJ. Erratum: Corrigendum: Discovering chemistry with an ab initio nanoreactor Nature Chemistry. 7: 87-87. DOI: 10.1038/Nchem.2139  0.636
2014 Wang LP, Martinez TJ, Pande VS. Building force fields: An automatic, systematic, and reproducible approach Journal of Physical Chemistry Letters. 5: 1885-1891. DOI: 10.1021/jz500737m  0.631
2014 Punwong C, Martínez TJ, Hannongbua S. Direct QM/MM simulation of photoexcitation dynamics in bacteriorhodopsin and halorhodopsin Chemical Physics Letters. 610: 213-218. DOI: 10.1016/J.Cplett.2014.07.037  0.8
2014 Wang L, Head-Gordon T, Ponder J, Ren P, Chodera J, Eastman P, Martinez TJ, Pande VS. Systematic Improvement on the Classical Molecular Model of Water Biophysical Journal. 106: 403a. DOI: 10.1016/J.Bpj.2013.11.2273  0.669
2014 Virshup AM, Levine BG, Martínez TJ. Steric and electrostatic effects on photoisomerization dynamics using QM/MM ab initio multiple spawning Theoretical Chemistry Accounts. 133: 1-11. DOI: 10.1007/S00214-014-1506-5  0.837
2013 Titov AV, Ufimtsev IS, Luehr N, Martinez TJ. Generating Efficient Quantum Chemistry Codes for Novel Architectures. Journal of Chemical Theory and Computation. 9: 213-21. PMID 26589024 DOI: 10.1021/Ct300321A  0.776
2013 Petrovic VS, Schorb S, Kim J, White J, Cryan JP, Glownia JM, Zipp L, Broege D, Miyabe S, Tao H, Martinez T, Bucksbaum PH. Enhancement of strong-field multiple ionization in the vicinity of the conical intersection in 1,3-cyclohexadiene ring opening. The Journal of Chemical Physics. 139: 184309. PMID 24320276 DOI: 10.1063/1.4829766  0.361
2013 Isborn CM, Mar BD, Curchod BF, Tavernelli I, Martínez TJ. The charge transfer problem in density functional theory calculations of aqueously solvated molecules. The Journal of Physical Chemistry. B. 117: 12189-201. PMID 23964865 DOI: 10.1021/Jp4058274  0.813
2013 Wang LP, Head-Gordon T, Ponder JW, Ren P, Chodera JD, Eastman PK, Martinez TJ, Pande VS. Systematic improvement of a classical molecular model of water. The Journal of Physical Chemistry. B. 117: 9956-72. PMID 23750713 DOI: 10.1021/Jp403802C  0.677
2012 Isborn CM, Götz AW, Clark MA, Walker RC, Martínez TJ. Electronic Absorption Spectra from MM and ab initio QM/MM Molecular Dynamics: Environmental Effects on the Absorption Spectrum of Photoactive Yellow Protein. Journal of Chemical Theory and Computation. 8: 5092-5106. PMID 23476156 DOI: 10.1021/Ct3006826  0.698
2012 Virshup AM, Chen J, Martínez TJ. Nonlinear dimensionality reduction for nonadiabatic dynamics: the influence of conical intersection topography on population transfer rates. The Journal of Chemical Physics. 137: 22A519. PMID 23249056 DOI: 10.1063/1.4742066  0.826
2012 Kuhlman TS, Glover WJ, Mori T, Møller KB, Martínez TJ. Between ethylene and polyenes--the non-adiabatic dynamics of cis-dienes. Faraday Discussions. 157: 193-212; discussion . PMID 23230770 DOI: 10.1039/C2Fd20055D  0.776
2012 Kulik HJ, Luehr N, Ufimtsev IS, Martinez TJ. Ab initio quantum chemistry for protein structures. The Journal of Physical Chemistry. B. 116: 12501-9. PMID 22974088 DOI: 10.1021/Jp307741U  0.8
2012 Allison TK, Tao H, Glover WJ, Wright TW, Stooke AM, Khurmi C, van Tilborg J, Liu Y, Falcone RW, Martínez TJ, Belkacem A. Ultrafast internal conversion in ethylene. II. Mechanisms and pathways for quenching and hydrogen elimination. The Journal of Chemical Physics. 136: 124317. PMID 22462867 DOI: 10.1063/1.3697760  0.738
2012 Mori T, Glover WJ, Schuurman MS, Martinez TJ. Role of Rydberg states in the photochemical dynamics of ethylene. The Journal of Physical Chemistry. A. 116: 2808-18. PMID 22148837 DOI: 10.1021/Jp2097185  0.794
2012 Kuhlman TS, Glover WJ, Mori T, Moller KB, Martínez TJ. Between ethylene and polyenes - The non-adiabatic dynamics of cis-dienes Faraday Discussions. 157: 193-212. DOI: 10.1039/c2fd20055d  0.731
2011 Luehr N, Ufimtsev IS, Martínez TJ. Dynamic Precision for Electron Repulsion Integral Evaluation on Graphical Processing Units (GPUs). Journal of Chemical Theory and Computation. 7: 949-54. PMID 26606344 DOI: 10.1021/Ct100701W  0.802
2011 Thompson AL, Martínez TJ. Time-resolved photoelectron spectroscopy from first principles: excited state dynamics of benzene. Faraday Discussions. 150: 293-311; discussion . PMID 22457953  0.344
2011 Evenhuis C, Martínez TJ. A scheme to interpolate potential energy surfaces and derivative coupling vectors without performing a global diabatization. The Journal of Chemical Physics. 135: 224110. PMID 22168683 DOI: 10.1063/1.3660686  0.313
2011 Tao H, Allison TK, Wright TW, Stooke AM, Khurmi C, van Tilborg J, Liu Y, Falcone RW, Belkacem A, Martinez TJ. Ultrafast internal conversion in ethylene. I. The excited state lifetime. The Journal of Chemical Physics. 134: 244306. PMID 21721629 DOI: 10.1063/1.3604007  0.323
2011 Isborn CM, Luehr N, Ufimtsev IS, Martínez TJ. Excited-State Electronic Structure with Configuration Interaction Singles and Tamm-Dancoff Time-Dependent Density Functional Theory on Graphical Processing Units. Journal of Chemical Theory and Computation. 7: 1814-1823. PMID 21687784 DOI: 10.1021/Ct200030K  0.83
2011 Lenhardt JM, Ogle JW, Ong MT, Choe R, Martinez TJ, Craig SL. Reactive cross-talk between adjacent tension-trapped transition states. Journal of the American Chemical Society. 133: 3222-5. PMID 21341786 DOI: 10.1021/Ja107645C  0.668
2011 Tao H, Shen L, Kim MH, Suits AG, Martinez TJ. Conformationally selective photodissociation dynamics of propanal cation. The Journal of Chemical Physics. 134: 054313. PMID 21303126 DOI: 10.1063/1.3540659  0.329
2011 Thompson AL, Martínez TJ. Time-resolved photoelectron spectroscopy from first principles: Excited state dynamics of benzene Faraday Discussions. 150: 293-311. DOI: 10.1039/c1fd00003a  0.344
2011 Ufimtsev IS, Luehr N, Martinez TJ. Charge transfer and polarization in solvated proteins from Ab initio molecular dynamics Journal of Physical Chemistry Letters. 2: 1789-1793. DOI: 10.1021/Jz200697C  0.793
2011 Luehr N, Ufimtsev I, Martinez T. Dynamical quadrature grids: Applications in density functional calculations Gpu Computing Gems Emerald Edition. 35-42. DOI: 10.1016/B978-0-12-384988-5.00003-6  0.779
2010 Lenhardt JM, Ong MT, Choe R, Evenhuis CR, Martinez TJ, Craig SL. Trapping a diradical transition state by mechanochemical polymer extension. Science (New York, N.Y.). 329: 1057-60. PMID 20798315 DOI: 10.1126/Science.1193412  0.667
2010 Slavícek P, Martínez TJ. Ab initio floating occupation molecular orbital-complete active space configuration interaction: an efficient approximation to CASSCF. The Journal of Chemical Physics. 132: 234102. PMID 20572684 DOI: 10.1063/1.3436501  0.598
2010 Kryger MJ, Ong MT, Odom SA, Sottos NR, White SR, Martinez TJ, Moore JS. Masked cyanoacrylates unveiled by mechanical force. Journal of the American Chemical Society. 132: 4558-9. PMID 20232911 DOI: 10.1021/Ja1008932  0.636
2010 Olsen S, Lamothe K, Martínez TJ. Protonic gating of excited-state twisting and charge localization in GFP chromophores: a mechanistic hypothesis for reversible photoswitching. Journal of the American Chemical Society. 132: 1192-3. PMID 20067241 DOI: 10.1021/Ja907447K  0.568
2010 Thompson AL, Punwong C, Martínez TJ. Optimization of width parameters for quantum dynamics with frozen Gaussian basis sets Chemical Physics. 370: 70-77. DOI: 10.1016/J.Chemphys.2010.03.020  0.81
2009 Ufimtsev IS, Martinez TJ. Quantum Chemistry on Graphical Processing Units. 3. Analytical Energy Gradients, Geometry Optimization, and First Principles Molecular Dynamics. Journal of Chemical Theory and Computation. 5: 2619-28. PMID 26631777 DOI: 10.1021/ct9003004  0.332
2009 Tempel DG, Martínez TJ, Maitra NT. Revisiting Molecular Dissociation in Density Functional Theory: A Simple Model. Journal of Chemical Theory and Computation. 5: 770-780. PMID 26609582 DOI: 10.1021/Ct800535C  0.355
2009 Tao H, Levine BG, Martínez TJ. Ab initio multiple spawning dynamics using multi-state second-order perturbation theory. The Journal of Physical Chemistry. A. 113: 13656-62. PMID 19888736 DOI: 10.1021/Jp9063565  0.783
2009 Levine BG, Martínez TJ. Ab initio multiple spawning dynamics of excited butadiene: role of charge transfer. The Journal of Physical Chemistry. A. 113: 12815-24. PMID 19813720 DOI: 10.1021/Jp907111U  0.772
2009 Chen J, Martínez TJ. Charge conservation in electronegativity equalization and its implications for the electrostatic properties of fluctuating-charge models. The Journal of Chemical Physics. 131: 044114. PMID 19655844 DOI: 10.1063/1.3183167  0.442
2009 Davis DA, Hamilton A, Yang J, Cremar LD, Van Gough D, Potisek SL, Ong MT, Braun PV, Martínez TJ, White SR, Moore JS, Sottos NR. Force-induced activation of covalent bonds in mechanoresponsive polymeric materials. Nature. 459: 68-72. PMID 19424152 DOI: 10.1038/Nature07970  0.644
2009 Ong MT, Leiding J, Tao H, Virshup AM, Martínez TJ. First principles dynamics and minimum energy pathways for mechanochemical ring opening of cyclobutene. Journal of the American Chemical Society. 131: 6377-9. PMID 19378993 DOI: 10.1021/Ja8095834  0.804
2009 Yang S, Coe JD, Kaduk B, Martínez TJ. An "optimal" spawning algorithm for adaptive basis set expansion in nonadiabatic dynamics. The Journal of Chemical Physics. 130: 134113. PMID 19355723 DOI: 10.1063/1.3103930  0.663
2009 Virshup AM, Punwong C, Pogorelov TV, Lindquist BA, Ko C, Martínez TJ. Photodynamics in complex environments: ab initio multiple spawning quantum mechanical/molecular mechanical dynamics. The Journal of Physical Chemistry. B. 113: 3280-91. PMID 19090684 DOI: 10.1021/Jp8073464  0.826
2008 Chen J, Hundertmark D, Martínez TJ. A unified theoretical framework for fluctuating-charge models in atom-space and in bond-space. The Journal of Chemical Physics. 129: 214113. PMID 19063550 DOI: 10.1063/1.3021400  0.471
2008 Coe JD, Ong MT, Levine BG, Martínez TJ. On the extent and connectivity of conical intersection seams and the effects of three-state intersections. The Journal of Physical Chemistry. A. 112: 12559-67. PMID 19012385 DOI: 10.1021/Jp806072K  0.813
2008 Hudock HR, Martínez TJ. Excited-state dynamics of cytosine reveal multiple intrinsic subpicosecond pathways. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 9: 2486-90. PMID 19006165 DOI: 10.1002/cphc.200800649  0.811
2008 Ko C, Malick DK, Braden DA, Friesner RA, Martínez TJ. Pseudospectral time-dependent density functional theory. The Journal of Chemical Physics. 128: 104103. PMID 18345873 DOI: 10.1063/1.2834222  0.586
2008 Levine BG, Coe JD, Martínez TJ. Optimizing conical intersections without derivative coupling vectors: application to multistate multireference second-order perturbation theory (MS-CASPT2). The Journal of Physical Chemistry. B. 112: 405-13. PMID 18081339 DOI: 10.1021/Jp0761618  0.807
2008 Coe JD, Martinez TJ. Ab initio multiple spawning dynamics of excited state intramolecular proton transfer: The role of spectroscopically dark states Molecular Physics. 106: 537-545. DOI: 10.1080/00268970801901514  0.688
2008 Chen J, Martı´nez TJ. Erratum to ‘QTPIE: Charge transfer with polarization current equalization. A fluctuating charge model with correct asymptotics’ [Chem. Phys. Lett. 438 (2007) 315] Chemical Physics Letters. 463: 288. DOI: 10.1016/J.Cplett.2008.08.060  0.431
2008 Ko C, Virshup AM, Martínez TJ. Electrostatic control of photoisomerization in the photoactive yellow protein chromophore: Ab initio multiple spawning dynamics Chemical Physics Letters. 460: 272-277. DOI: 10.1016/J.Cplett.2008.05.029  0.814
2008 Levine BG, Coe JD, Virshup AM, Martínez TJ. Implementation of ab initio multiple spawning in the Molpro quantum chemistry package Chemical Physics. 347: 3-16. DOI: 10.1016/J.Chemphys.2008.01.014  0.815
2007 Lee AM, Coe JD, Ullrich S, Ho ML, Lee SJ, Cheng BM, Zgierski MZ, Chen IC, Martinez TJ, Stolow A. Substituent effects on dynamics at conical intersections: alpha,beta-enones. The Journal of Physical Chemistry. A. 111: 11948-60. PMID 17985850 DOI: 10.1021/Jp074622J  0.649
2007 Hudock HR, Levine BG, Thompson AL, Satzger H, Townsend D, Gador N, Ullrich S, Stolow A, Martínez TJ. Ab initio molecular dynamics and time-resolved photoelectron spectroscopy of electronically excited uracil and thymine. The Journal of Physical Chemistry. A. 111: 8500-8. PMID 17685594 DOI: 10.1021/Jp0723665  0.824
2007 Hemp J, Han H, Roh JH, Kaplan S, Martinez TJ, Gennis RB. Comparative genomics and site-directed mutagenesis support the existence of only one input channel for protons in the C-family (cbb3 oxidase) of heme-copper oxygen reductases. Biochemistry. 46: 9963-72. PMID 17676874 DOI: 10.1021/Bi700659Y  0.543
2007 Coe JD, Levine BG, Martínez TJ. Ab initio molecular dynamics of excited-state intramolecular proton transfer using multireference perturbation theory. The Journal of Physical Chemistry. A. 111: 11302-10. PMID 17602455 DOI: 10.1021/Jp072027B  0.841
2007 Kim MH, Shen L, Tao H, Martinez TJ, Suits AG. Conformationally controlled chemistry: excited-state dynamics dictate ground-state reaction. Science (New York, N.Y.). 315: 1561-5. PMID 17363670 DOI: 10.1126/science.1136453  0.345
2007 Levine BG, Martínez TJ. Isomerization through conical intersections. Annual Review of Physical Chemistry. 58: 613-34. PMID 17291184 DOI: 10.1146/Annurev.Physchem.57.032905.104612  0.746
2007 Toniolo A, Ciminelli C, Persico M, Martínez TJ. Simulation of the photodynamics of azobenzene on its first excited state: comparison of full multiple spawning and surface hopping treatments. The Journal of Chemical Physics. 123: 234308. PMID 16392921 DOI: 10.1063/1.2134705  0.341
2007 Hudock HR, Levine BG, Thompson AL, Martinez TJ. First principles dynamics of photoexcited DNA and RNA bases Aip Conference Proceedings. 963: 219-222. DOI: 10.1063/1.2836045  0.758
2007 Chen J, Martínez TJ. QTPIE: Charge transfer with polarization current equalization. A fluctuating charge model with correct asymptotics Chemical Physics Letters. 438: 315-320. DOI: 10.1016/J.Cplett.2007.02.065  0.474
2006 Hemp J, Robinson DE, Ganesan KB, Martinez TJ, Kelleher NL, Gennis RB. Evolutionary migration of a post-translationally modified active-site residue in the proton-pumping heme-copper oxygen reductases. Biochemistry. 45: 15405-10. PMID 17176062 DOI: 10.1021/Bi062026U  0.548
2006 Slavícek P, Martínez TJ. Multicentered valence electron effective potentials: a solution to the link atom problem for ground and excited electronic states. The Journal of Chemical Physics. 124: 084107. PMID 16512708 DOI: 10.1063/1.2173992  0.621
2006 Coe JD, Martínez TJ. Ab initio molecular dynamics of excited-state intramolecular proton transfer around a three-state conical intersection in malonaldehyde. The Journal of Physical Chemistry. A. 110: 618-30. PMID 16405334 DOI: 10.1021/Jp0535339  0.692
2006 Levine BG, Ko C, Quenneville J, MartÍnez TJ. Conical intersections and double excitations in time-dependent density functional theory Molecular Physics. 104: 1039-1051. DOI: 10.1080/00268970500417762  0.813
2005 Hemp J, Christian C, Barquera B, Gennis RB, Martínez TJ. Helix switching of a key active-site residue in the cytochrome cbb3 oxidases. Biochemistry. 44: 10766-75. PMID 16086579 DOI: 10.1021/Bi050464F  0.563
2005 Coe JD, Martínez TJ. Competitive decay at two- and three-state conical intersections in excited-state intramolecular proton transfer. Journal of the American Chemical Society. 127: 4560-1. PMID 15796506 DOI: 10.1021/Ja043093J  0.659
2004 Toniolo A, Olsen S, Manohar L, Martínez TJ. Conical intersection dynamics in solution: the chromophore of Green Fluorescent Protein. Faraday Discussions. 127: 149-63. PMID 15471344 DOI: 10.1039/B401167H  0.612
2004 Thompson AL, Gaab KM, Xu J, Bardeen CJ, Martínez TJ. Variable electronic coupling in phenylacetylene dendrimers: The role of Förster, Dexter, and charge-transfer interactions Journal of Physical Chemistry A. 108: 671-682. DOI: 10.1021/jp030953u  0.302
2004 Toniolo A, Thompson AL, Martínez TJ. Excited state direct dynamics of benzene with reparameterized multi-reference semiempirical configuration interaction methods Chemical Physics. 304: 133-145. DOI: 10.1016/j.chemphys.2004.04.018  0.344
2003 Schultz T, Quenneville J, Levine B, Toniolo A, Martínez TJ, Lochbrunner S, Schmitt M, Shaffer JP, Zgierski MZ, Stolow A. Mechanism and dynamics of azobenzene photoisomerization. Journal of the American Chemical Society. 125: 8098-9. PMID 12837068 DOI: 10.1021/Ja021363X  0.827
2003 Wu CJ, Yang LH, Fried LE, Quenneville J, Martinez TJ. Electronic structure of solid 1,3,5-triamino-2,4,6-trinitrobenzene under uniaxial compression: Possible role of pressure-induced metallization in energetic materials Physical Review B. 67. DOI: 10.1103/Physrevb.67.235101  0.755
2003 Leitner DM, Levine B, Quenneville J, Martínez TJ, Wolynes PG. Quantum energy flow and trans-stilbene photoisomerization: An example of a non-RRKM reaction Journal of Physical Chemistry A. 107: 10706-10716. DOI: 10.1021/Jp0305180  0.8
2001 Quenneville J, Ben-Nun M, Martı́nez TJ. Photochemistry from first principles — advances and future prospects Journal of Photochemistry and Photobiology a: Chemistry. 144: 229-235. DOI: 10.1016/S1010-6030(01)00452-X  0.79
2000 Ben-Nun M, Quenneville J, Martínez TJ. Ab Initio Multiple Spawning:  Photochemistry from First Principles Quantum Molecular Dynamics The Journal of Physical Chemistry A. 104: 5161-5175. DOI: 10.1021/Jp994174I  0.818
2000 Molnar F, Ben-Nun M, Martínez TJ, Schulten K. Characterization of a conical intersection between the ground and first excited state for a retinal analog Journal of Molecular Structure: Theochem. 506: 169-178. DOI: 10.1016/S0166-1280(00)00410-3  0.302
1998 Ben-Nun M, Molnar F, Lu H, Phillips JC, Martínez TJ, Schulten K. Quantum dynamics of the femtosecond photoisomerization of retinal in bacteriorhodopsin. Faraday Discussions. 447-62; discussion 4. PMID 10822594 DOI: 10.1039/A801310A  0.304
1997 Martínez TJ, Ben-Nun M, Levine RD. Molecular Collision Dynamics on Several Electronic States The Journal of Physical Chemistry A. 101: 6389-6402. DOI: 10.1021/jp970842t  0.323
1996 Reynolds G, Martinez TJ, Carter EA. Local weak pairs spectral and pseudospectral singles and doubles configuration interaction The Journal of Chemical Physics. 105: 6455-6470. DOI: 10.1063/1.472495  0.456
1995 Martinez TJ, Carter EA. Pseudospectral multireference single and double excitation configuration interaction The Journal of Chemical Physics. 102: 7564-7572. DOI: 10.1063/1.469088  0.45
1994 Martinez TJ, Carter EA. Pseudospectral Mo/ller–Plesset perturbation theory through third order The Journal of Chemical Physics. 100: 3631-3638. DOI: 10.1063/1.466350  0.382
1993 Martinez TJ, Mehta A, Carter EA. Erratum: Pseudospectral full configuration interaction [J. Chem. Phys. 97, 1876 (1992)] The Journal of Chemical Physics. 99: 4238-4238. DOI: 10.1063/1.466235  0.37
1993 Martinez TJ, Carter EA. Pseudospectral double excitation configuration interaction The Journal of Chemical Physics. 98: 7081-7085. DOI: 10.1063/1.464751  0.469
1992 Martinez TJ, Mehta A, Carter EA. Pseudospectral full configuration interaction The Journal of Chemical Physics. 97: 1876-1880. DOI: 10.1063/1.463176  0.435
Low-probability matches (unlikely to be authored by this person)
1996 Martinez TJ, Levine RD. First‐principles molecular dynamics on multiple electronic states: A case study of NaI The Journal of Chemical Physics. 105: 6334-6341. DOI: 10.1063/1.472486  0.3
2019 Parrish RM, Hohenstein EG, McMahon PL, Martínez TJ. Quantum Computation of Electronic Transitions Using a Variational Quantum Eigensolver. Physical Review Letters. 122: 230401. PMID 31298869 DOI: 10.1103/Physrevlett.122.230401  0.299
2020 List NH, Dempwolff AL, Dreuw A, Norman P, Martínez TJ. Probing competing relaxation pathways in malonaldehyde with transient X-ray absorption spectroscopy. Chemical Science. 11: 4180-4193. PMID 34122881 DOI: 10.1039/d0sc00840k  0.297
2000 Ben-Nun M, Martínez TJ. Photodynamics of ethylene: Ab initio studies of conical intersections Chemical Physics. 259: 237-248. DOI: 10.1016/S0301-0104(00)00194-4  0.293
2018 Yang J, Zhu X, Wolf TJA, Li Z, Nunes JPF, Coffee R, Cryan JP, Gühr M, Hegazy K, Heinz TF, Jobe K, Li R, Shen X, Veccione T, Weathersby S, ... ... Martinez TJ, et al. Imaging CFI conical intersection and photodissociation dynamics with ultrafast electron diffraction. Science (New York, N.Y.). 361: 64-67. PMID 29976821 DOI: 10.1126/Science.Aat0049  0.289
1999 Thompson K, Martı́nez TJ. Ab initio/interpolated quantum dynamics on coupled electronic states with full configuration interaction wave functions The Journal of Chemical Physics. 110: 1376-1382. DOI: 10.1063/1.478027  0.289
2017 Wolf TJA, Myhre RH, Cryan JP, Coriani S, Squibb RJ, Battistoni A, Berrah N, Bostedt C, Bucksbaum P, Coslovich G, Feifel R, Gaffney KJ, Grilj J, Martinez TJ, Miyabe S, et al. Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption. Nature Communications. 8: 29. PMID 28642477 DOI: 10.1038/S41467-017-00069-7  0.288
2020 Weir H, Williams M, Parrish RM, Hohenstein EG, Martínez TJ. Nonadiabatic Dynamics of Photoexcited cis-Stilbene Using Ab Initio Multiple Spawning. The Journal of Physical Chemistry. B. PMID 32428407 DOI: 10.1021/Acs.Jpcb.0C03344  0.287
2023 Bannwarth C, Martínez TJ. SQMBox: Interfacing a semiempirical integral library to modular ab initio electronic structure enables new semiempirical methods. The Journal of Chemical Physics. 158: 074109. PMID 36813714 DOI: 10.1063/5.0132776  0.287
2002 Ben-Nun M, Molnar F, Schulten K, Martinez TJ. The role of intersection topography in bond selectivity of cis-trans photoisomerization. Proceedings of the National Academy of Sciences of the United States of America. 99: 1769-73. PMID 11854479 DOI: 10.1073/Pnas.032658099  0.287
2016 Filatov M, Martínez TJ, Kim KS. Using the GVB Ansatz to develop ensemble DFT method for describing multiple strongly correlated electron pairs. Physical Chemistry Chemical Physics : Pccp. PMID 26947515 DOI: 10.1039/C6Cp00236F  0.283
2008 Ufimtsev IS, Martínez TJ. Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation. Journal of Chemical Theory and Computation. 4: 222-31. PMID 26620654 DOI: 10.1021/ct700268q  0.282
2012 Petrović VS, Siano M, White JL, Berrah N, Bostedt C, Bozek JD, Broege D, Chalfin M, Coffee RN, Cryan J, Fang L, Farrell JP, Frasinski LJ, Glownia JM, Gühr M, ... ... Martinez T, et al. Transient X-ray fragmentation: probing a prototypical photoinduced ring opening. Physical Review Letters. 108: 253006. PMID 23004597 DOI: 10.1103/Physrevlett.108.253006  0.281
2010 Varganov SA, Martínez TJ. Variational geminal-augmented multireference self-consistent field theory: two-electron systems. The Journal of Chemical Physics. 132: 054103. PMID 20136301 DOI: 10.1063/1.3303203  0.281
2002 Toniolo A, Ben-Nun M, Martínez TJ. Optimization of conical intersections with floating occupation semiempirical configuration interaction wave functions Journal of Physical Chemistry A. 106: 4679-4689. DOI: 10.1021/jp014289y  0.28
2016 Makhov DV, Martinez TJ, Shalashilin DV. Toward fully quantum modelling of ultrafast photodissociation imaging experiments. Treating tunnelling in the ab initio multiple cloning approach. Faraday Discussions. PMID 27711808 DOI: 10.1039/c6fd00073h  0.28
2001 Hack MD, Wensmann AM, Truhlar DG, Ben-Nun M, Martínez TJ. Comparison of full multiple spawning, trajectory surface hopping, and converged quantum mechanics for electronically nonadiabatic dynamics Journal of Chemical Physics. 115: 1172-1186. DOI: 10.1063/1.1377030  0.278
2020 Yang J, Zhu X, F Nunes JP, Yu JK, Parrish RM, Wolf TJA, Centurion M, Gühr M, Li R, Liu Y, Moore B, Niebuhr M, Park S, Shen X, Weathersby S, ... ... Martinez TJ, et al. Simultaneous observation of nuclear and electronic dynamics by ultrafast electron diffraction. Science (New York, N.Y.). 368: 885-889. PMID 32439793 DOI: 10.1126/Science.Abb2235  0.277
2013 Mcfarland BK, Farrell JP, Miyabe S, Tarantelli F, Aguilar A, Berrah N, Bostedt C, Bozek J, Bucksbaum PH, Castagna JC, Coffee R, Cryan J, Fang L, Feifel R, Gaffney K, ... ... Martinez T, et al. Delayed ultrafast X-ray induced auger probing Optics Infobase Conference Papers. DOI: 10.1364/Ls.2013.Lw5H.3  0.273
2017 Martínez TJ. Ab Initio Reactive Computer Aided Molecular Design. Accounts of Chemical Research. 50: 652-656. PMID 28945420 DOI: 10.1021/acs.accounts.7b00010  0.272
2006 Martínez TJ. Insights for light-driven molecular devices from ab initio multiple spawning excited-state dynamics of organic and biological chromophores. Accounts of Chemical Research. 39: 119-26. PMID 16489731 DOI: 10.1021/ar040202q  0.271
2006 Martinez TJ. Insights for Light-Driven Molecular Devices from ab initio Multiple Spawning Excited-State Dynamics of Organic and Biological Chromophores Cheminform. 37. DOI: 10.1002/chin.200618276  0.271
2021 Jones CM, List NH, Martínez TJ. Resolving the ultrafast dynamics of the anionic green fluorescent protein chromophore in water. Chemical Science. 12: 11347-11363. PMID 34667545 DOI: 10.1039/d1sc02508b  0.267
2022 Raucci U, Weir H, Bannwarth C, Sanchez DM, Martínez TJ. Chiral photochemistry of achiral molecules. Nature Communications. 13: 2091. PMID 35440559 DOI: 10.1038/s41467-022-29662-1  0.266
2020 Aldaz CR, Martinez TJ, Zimmerman PM. The Mechanics of the Bicycle Pedal Photoisomerization in Crystalline -1,4-Diphenyl-1,3-butadiene. The Journal of Physical Chemistry. A. PMID 33064471 DOI: 10.1021/acs.jpca.0c05803  0.266
2023 Champenois EG, List NH, Ware M, Britton M, Bucksbaum PH, Cheng X, Centurion M, Cryan JP, Forbes R, Gabalski I, Hegazy K, Hoffmann MC, Howard AJ, Ji F, Lin MF, ... ... Martinez TJ, et al. Femtosecond Electronic and Hydrogen Structural Dynamics in Ammonia Imaged with Ultrafast Electron Diffraction. Physical Review Letters. 131: 143001. PMID 37862660 DOI: 10.1103/PhysRevLett.131.143001  0.265
1998 Ben-Nun M, Martı́nez TJ. Ab initio molecular dynamics study of cis–trans photoisomerization in ethylene Chemical Physics Letters. 298: 57-65. DOI: 10.1016/S0009-2614(98)01115-4  0.265
2022 Raucci U, Sanchez DM, Martínez TJ, Parrinello M. Enhanced Sampling Aided Design of Molecular Photoswitches. Journal of the American Chemical Society. PMID 36222799 DOI: 10.1021/jacs.2c04419  0.264
2021 Wolf TJA, Paul AC, Folkestad SD, Myhre RH, Cryan JP, Berrah N, Bucksbaum PH, Coriani S, Coslovich G, Feifel R, Martinez TJ, Moeller SP, Mucke M, Obaid R, Plekan O, et al. Transient resonant Auger-Meitner spectra of photoexcited thymine. Faraday Discussions. PMID 33566045 DOI: 10.1039/d0fd00112k  0.264
2012 Hohenstein EG, Parrish RM, Sherrill CD, Martínez TJ. Communication: Tensor hypercontraction. III. Least-squares tensor hypercontraction for the determination of correlated wavefunctions. The Journal of Chemical Physics. 137: 221101. PMID 23248980 DOI: 10.1063/1.4768241  0.261
2019 Hohenstein EG, Zhao Y, Parrish RM, Martínez TJ. Rank reduced coupled cluster theory. II. Equation-of-motion coupled-cluster singles and doubles. The Journal of Chemical Physics. 151: 164121. PMID 31675873 DOI: 10.1063/1.5121867  0.26
2024 List NH, Jones CM, Martínez TJ. Chemical control of excited-state reactivity of the anionic green fluorescent protein chromophore. Communications Chemistry. 7: 25. PMID 38316834 DOI: 10.1038/s42004-024-01099-1  0.26
2003 Gaab KM, Thompson AL, Xu J, Martínez TJ, Bardeen CJ. Meta-conjugation and excited-state coupling in phenylacetylene dendrimers. Journal of the American Chemical Society. 125: 9288-9. PMID 12889946 DOI: 10.1021/ja029489h  0.256
1996 Martinez TJ, Ben-Nun M, Levine RD. Multi-Electronic-State Molecular Dynamics:  A Wave Function Approach with Applications The Journal of Physical Chemistry. 100: 7884-7895. DOI: 10.1021/jp953105a  0.256
2017 Li Z, Inhester L, Liekhus-Schmaltz C, Curchod BFE, Snyder JW, Medvedev N, Cryan J, Osipov T, Pabst S, Vendrell O, Bucksbaum P, Martinez TJ. Ultrafast isomerization in acetylene dication after carbon K-shell ionization. Nature Communications. 8: 453. PMID 28878226 DOI: 10.1038/S41467-017-00426-6  0.256
2020 Chen Z, Zhu X, Yang J, Mercer JAM, Burns NZ, Martinez TJ, Xia Y. The cascade unzipping of ladderane reveals dynamic effects in mechanochemistry. Nature Chemistry. PMID 31907403 DOI: 10.1038/S41557-019-0396-5  0.255
2009 Roberts ST, Petersen PB, Ramasesha K, Tokmakoff A, Ufimtsev IS, Martinez TJ. Observation of a Zundel-like transition state during proton transfer in aqueous hydroxide solutions. Proceedings of the National Academy of Sciences of the United States of America. 106: 15154-9. PMID 19666493 DOI: 10.1073/Pnas.0901571106  0.255
2013 Mori T, Martínez TJ. Exploring the Conical Intersection Seam: The Seam Space Nudged Elastic Band Method. Journal of Chemical Theory and Computation. 9: 1155-63. PMID 26588758 DOI: 10.1021/ct300892t  0.254
2021 Hohenstein EG, Martínez TJ. GPU acceleration of rank-reduced coupled-cluster singles and doubles. The Journal of Chemical Physics. 155: 184110. PMID 34773962 DOI: 10.1063/5.0063467  0.254
2020 Seritan S, Thompson K, Martínez TJ. TeraChem Cloud: A High-Performance Computing Service for Scalable Distributed GPU-Accelerated Electronic Structure Calculations. Journal of Chemical Information and Modeling. PMID 32267693 DOI: 10.1021/acs.jcim.9b01152  0.254
2021 Song C, Neaton JB, Martínez TJ. Reduced scaling formulation of CASPT2 analytical gradients using the supporting subspace method. The Journal of Chemical Physics. 154: 014103. PMID 33412861 DOI: 10.1063/5.0035233  0.254
1997 Ben-Nun M, Martínez TJ, Levine RD. Dynamical Stereochemistry on Several Electronic States:  A Computational Study of Na* + H2 The Journal of Physical Chemistry A. 101: 7522-7529. DOI: 10.1021/jp971058b  0.253
2017 Song C, Martínez TJ. Analytical gradients for tensor hyper-contracted MP2 and SOS-MP2 on graphical processing units. The Journal of Chemical Physics. 147: 161723. PMID 29096499 DOI: 10.1063/1.4997997  0.252
2022 Raucci U, Weir H, Sakshuwong S, Seritan S, Hicks CB, Vannucci F, Rea F, Martínez TJ. Interactive Quantum Chemistry Enabled by Machine Learning, Graphical Processing Units, and Cloud Computing. Annual Review of Physical Chemistry. PMID 36750410 DOI: 10.1146/annurev-physchem-061020-053438  0.252
2019 Parrish RM, Martínez TJ. Ab Initio Computation of Rotationally-Averaged Pump-Probe X-Ray and Electron Diffraction Signals. Journal of Chemical Theory and Computation. PMID 30702882 DOI: 10.1021/acs.jctc.8b01051  0.25
2008 Thoss M, Stock G, Martinez TJ. Ultrafast photoinduced processes in polyatomic molecules: Electronic structure, dynamics and spectroscopy (in honour of Wolfgang Domcke) Chemical Physics. 347: 1-2. DOI: 10.1016/J.Chemphys.2008.03.029  0.249
1999 Ben-Nun M, Martínez TJ. Electronic Absorption and Resonance Raman Spectroscopy from Ab Initio Quantum Molecular Dynamics The Journal of Physical Chemistry A. 103: 10517-10527. DOI: 10.1021/jp992197r  0.248
2017 Wolf T, Holzmeier F, Wagner I, Berrah N, Bostedt C, Bozek J, Bucksbaum P, Coffee R, Cryan J, Farrell J, Feifel R, Martinez T, McFarland B, Mucke M, Nandi S, et al. Observing Femtosecond Fragmentation Using Ultrafast X-ray-Induced Auger Spectra Applied Sciences. 7: 681. DOI: 10.3390/App7070681  0.247
2021 Song C, Martínez TJ, Neaton JB. A diagrammatic approach for automatically deriving analytical gradients of tensor hyper-contracted electronic structure methods. The Journal of Chemical Physics. 155: 024108. PMID 34266268 DOI: 10.1063/5.0055914  0.246
1996 Martinez TJ, Levine R. Dynamics of the collisional electron transfer and femtosecond photodissociation of NaI on ab initio electronic energy curves Chemical Physics Letters. 259: 252-260. DOI: 10.1016/0009-2614(96)00765-8  0.246
1999 Ben-Nun M, Martínez TJ. Semiclassical Tunneling Rates from Ab Initio Molecular Dynamics The Journal of Physical Chemistry A. 103: 6055-6059. DOI: 10.1021/jp990904a  0.242
2017 Nåbo LJ, Olsen JMH, Martínez TJ, Kongsted J. The quality of the embedding potential is decisive for minimal quantum region size in embedding calculations - the case of the green fluorescent protein. Journal of Chemical Theory and Computation. PMID 29099597 DOI: 10.1021/Acs.Jctc.7B00528  0.241
2022 Jones CM, List NH, Martínez TJ. Steric and Electronic Origins of Fluorescence in GFP and GFP-like Proteins. Journal of the American Chemical Society. PMID 35786916 DOI: 10.1021/jacs.2c02946  0.237
2009 Ufimtsev IS, Kalinichev AG, Martinez TJ, Kirkpatrick RJ. A multistate empirical valence bond model for solvation and transport simulations of OH- in aqueous solutions. Physical Chemistry Chemical Physics : Pccp. 11: 9420-30. PMID 19830325 DOI: 10.1039/b907859b  0.234
2000 Ben-Nun M, Martínez TJ. Direct observation of disrotatory ring-opening in photoexcited cyclobutene using ab initio molecular dynamics [7] Journal of the American Chemical Society. 122: 6299-6300. DOI: 10.1021/ja9943896  0.232
2005 Thompson AL, Ahn TS, Thomas KR, Thayumanavan S, Martínez TJ, Bardeen CJ. Using meta conjugation to enhance charge separation versus charge recombination in phenylacetylene donor-bridge-acceptor complexes. Journal of the American Chemical Society. 127: 16348-9. PMID 16305193 DOI: 10.1021/Ja054543Q  0.23
2005 Karampinos DC, Georgiadis JG, Martinez TJ. Ab initio investigation of ionic hydration with the polarizable continuum model Proceedings of the Asme Summer Heat Transfer Conference. 1: 473-480. DOI: 10.1115/HT2005-72670  0.229
1996 Martinez TJ, Ben‐Nun M, Ashkenazi G. Classical/quantal method for multistate dynamics: A computational study The Journal of Chemical Physics. 104: 2847-2856. DOI: 10.1063/1.471108  0.225
2009 Ufimtsev IS, Martinez TJ. Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field Implementation. Journal of Chemical Theory and Computation. 5: 1004-15. PMID 26609609 DOI: 10.1021/ct800526s  0.225
2023 Xu R, Meisner J, Chang AM, Thompson KC, Martínez TJ. First principles reaction discovery: from the Schrodinger equation to experimental prediction for methane pyrolysis. Chemical Science. 14: 7447-7464. PMID 37449065 DOI: 10.1039/d3sc01202f  0.223
2019 Ashfold M, Bai S, Bradforth S, Chabera P, Cina J, Crespo-Hernández CE, das Neves Rodrigues N, Duchi M, Fleming G, Grieco C, Habershon S, Haggmark M, Hammes-Schiffer S, Hsieh ST, Kohler B, ... ... Martinez T, et al. Photo-protection/photo-damage in natural systems: general discussion. Faraday Discussions. PMID 31273373 DOI: 10.1039/C9Fd90031D  0.222
2022 Johnson KG, Mirchandaney S, Hoag E, Heirich A, Aiken A, Martínez TJ. Multinode Multi-GPU Two-Electron Integrals: Code Generation Using the Regent Language. Journal of Chemical Theory and Computation. PMID 36200649 DOI: 10.1021/acs.jctc.2c00414  0.22
1996 Ben-Nun M, Martínez TJ, Weber PM, Wilson KR. Direct imaging of excited electronic states using diffraction techniques: Theoretical considerations Chemical Physics Letters. 262: 405-414.  0.22
2021 Yang J, Dettori R, Nunes JPF, List NH, Biasin E, Centurion M, Chen Z, Cordones AA, Deponte DP, Heinz TF, Kozina ME, Ledbetter K, Lin MF, Lindenberg AM, Mo M, ... ... Martinez TJ, et al. Direct observation of ultrafast hydrogen bond strengthening in liquid water. Nature. 596: 531-535. PMID 34433948 DOI: 10.1038/s41586-021-03793-9  0.22
2012 Kim J, Tao H, White JL, Petrović VS, Martinez TJ, Bucksbaum PH. Control of 1,3-cyclohexadiene photoisomerization using light-induced conical intersections. The Journal of Physical Chemistry. A. 116: 2758-63. PMID 22082319 DOI: 10.1021/jp208384b  0.218
2003 Quenneville J, Martínez TJ. Ab Initio Study of Cis−Trans Photoisomerization in Stilbene and Ethylene The Journal of Physical Chemistry A. 107: 829-837. DOI: 10.1021/jp021210w  0.218
2020 Ellerbrock R, Martinez TJ. A multilayer multi-configurational approach to efficiently simulate large-scale circuit-based quantum computers on classical machines. The Journal of Chemical Physics. 153: 051101. PMID 32770887 DOI: 10.1063/5.0013123  0.217
2021 Liu Y, Holm S, Meisner J, Jia Y, Wu Q, Woods TJ, Martinez TJ, Moore JS. Flyby reaction trajectories: Chemical dynamics under extrinsic force. Science (New York, N.Y.). 373: 208-212. PMID 34244412 DOI: 10.1126/science.abi7609  0.217
2015 Tain JL, Valencia E, Algora A, Agramunt J, Rubio B, Rice S, Gelletly W, Regan P, Zakari-Issoufou AA, Fallot M, Porta A, Rissanen J, Eronen T, Äystö J, Batist L, et al. Enhanced γ-Ray Emission from Neutron Unbound States Populated in β Decay. Physical Review Letters. 115: 062502. PMID 26296113  0.216
2019 Mignolet B, Curchod BFE, Remacle F, Martínez TJ. Sub-Femtosecond Stark Control of Molecular Photoexcitation With Near Single-Cycle Pulses. The Journal of Physical Chemistry Letters. PMID 30695646 DOI: 10.1021/Acs.Jpclett.8B03814  0.216
2015 Makhov DV, Saita K, Martinez TJ, Shalashilin DV. Ab initio multiple cloning simulations of pyrrole photodissociation: TKER spectra and velocity map imaging. Physical Chemistry Chemical Physics : Pccp. 17: 3316-25. PMID 25523235 DOI: 10.1039/C4Cp04571H  0.215
2016 Sisto A, Glowacki DR, Martinez TJ. Correction to "Toward Nonadiabatic Dynamics of Multichromophore Complexes: A Scalable GPU-Accelerated Exciton Framework. Accounts of Chemical Research. PMID 27251301 DOI: 10.1021/Acs.Accounts.6B00217  0.214
2019 Zhu X, Thompson KC, Martínez TJ. Geodesic interpolation for reaction pathways. The Journal of Chemical Physics. 150: 164103. PMID 31042909 DOI: 10.1063/1.5090303  0.214
2017 Prei Szlig J, Herrmann-Westendorf F, Ngo TH, Martínez TJ, Dietzek B, Hill JP, Ariga K, Kruk MM, Maes W, Presselt M. Absorption and Fluorescence Features of an Amphiphilic meso-Pyrimidinylcorrole: Experimental Study and Quantum Chemical Calculations. The Journal of Physical Chemistry. A. PMID 29068684 DOI: 10.1021/Acs.Jpca.7B08910  0.212
2017 Song C, Martínez TJ. Atomic orbital-based SOS-MP2 with tensor hypercontraction. II. Local tensor hypercontraction. The Journal of Chemical Physics. 146: 034104. PMID 28109237 DOI: 10.1063/1.4973840  0.212
2023 Williams DMG, Kjønstad EF, Martínez TJ. Geometric phase in coupled cluster theory. The Journal of Chemical Physics. 158. PMID 37283267 DOI: 10.1063/5.0151856  0.21
2006 Toniolo A, Levine BG, Thompson AL, Quenneville J, Ben-Nun M, Owens JM, Olsen S, Manohar L, Martinez TJ. Photochemistry from First Principles and Direct Dynamics Cheminform. 37. DOI: 10.1002/chin.200626274  0.209
2018 Prei Szlig J, Kage D, Hoffmann K, Martínez TJ, Resch-Genger U, Presselt M. Ab Initio Prediction of Fluorescence Lifetimes Involving Solvent Environments by Means of COSMO and Vibrational Broadening. The Journal of Physical Chemistry. A. PMID 30507127 DOI: 10.1021/acs.jpca.8b08886  0.206
1997 Martínez TJ, Levine RD. Non-adiabatic molecular dynamics: Split-operator multiple spawning with applications to photodissociation Journal of the Chemical Society, Faraday Transactions. 93: 941-947. DOI: 10.1039/A605958I  0.205
2003 Baeck KK, Martinez TJ. Ab initio molecular dynamics with equation-of-motion coupled-cluster theory: electronic absorption spectrum of ethylene Chemical Physics Letters. 375: 299-308. DOI: 10.1016/S0009-2614(03)00847-9  0.204
2019 Wolf TJA, Yang J, Sanchez DM, Nunes JPF, Parrish RM, Shen X, Centurion M, Coffee R, Gyan JP, Gühr M, Kareem H, Kirrander A, Li R, Ruddock J, Veccione T, ... ... Martinez TJ, et al. Imaging the ring opening reaction of 1,3-cyclohexadiene with MeV ultrafast electron diffraction Epj Web of Conferences. 205: 07006. DOI: 10.1051/epjconf/201920507006  0.203
1998 Ben-Nun M, Martı́nez TJ. Nonadiabatic molecular dynamics: Validation of the multiple spawning method for a multidimensional problem The Journal of Chemical Physics. 108: 7244-7257. DOI: 10.1063/1.476142  0.202
2016 Song C, Martínez TJ. Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity. The Journal of Chemical Physics. 144: 174111. PMID 27155629 DOI: 10.1063/1.4948438  0.201
2020 Liekhus-Schmaltz C, Zhu X, McCracken GA, Cryan JP, Martinez TJ, Bucksbaum PH. Strictly non-adiabatic quantum control of the acetylene dication using an infrared field. The Journal of Chemical Physics. 152: 184302. PMID 32414271 DOI: 10.1063/5.0007058  0.199
2013 Hohenstein EG, Kokkila SI, Parrish RM, Martínez TJ. Quartic scaling second-order approximate coupled cluster singles and doubles via tensor hypercontraction: THC-CC2. The Journal of Chemical Physics. 138: 124111. PMID 23556713 DOI: 10.1063/1.4795514  0.197
2013 Parrish RM, Hohenstein EG, Martínez TJ, Sherrill CD. Discrete variable representation in electronic structure theory: quadrature grids for least-squares tensor hypercontraction. The Journal of Chemical Physics. 138: 194107. PMID 23697409 DOI: 10.1063/1.4802773  0.196
2012 Hohenstein EG, Parrish RM, Martínez TJ. Tensor hypercontraction density fitting. I. Quartic scaling second- and third-order Møller-Plesset perturbation theory. The Journal of Chemical Physics. 137: 044103. PMID 22852593 DOI: 10.1063/1.4732310  0.194
2017 Lefrancois D, Tuna D, Martínez TJ, Dreuw A. The Spin-Flip Variant of the Algebraic-Diagrammatic Construction Yields the Correct Topology of S1/S0 Conical Intersections. Journal of Chemical Theory and Computation. PMID 28742963 DOI: 10.1021/Acs.Jctc.7B00634  0.193
2024 Hillers-Bendtsen AE, Mikkelsen KV, Martinez TJ. Tensor Hypercontraction of Cluster Perturbation Theory: Quartic Scaling Perturbation Series for the Coupled Cluster Singles and Doubles Ground-State Energies. Journal of Chemical Theory and Computation. PMID 38380846 DOI: 10.1021/acs.jctc.3c01038  0.192
1997 Martínez TJ. Ab initio molecular dynamics around a conical intersection: Li(2p) + H2 Chemical Physics Letters. 272: 139-147. DOI: 10.1016/S0009-2614(97)88000-1  0.19
2021 Ford J, Seritan S, Zhu X, Sakano MN, Islam MM, Strachan A, Martínez TJ. Nitromethane Decomposition via Automated Reaction Discovery and an Corrected Kinetic Model. The Journal of Physical Chemistry. A. PMID 33569957 DOI: 10.1021/acs.jpca.0c09168  0.19
1997 Weinkauf R, Schlag EW, Martinez TJ, Levine RD. Nonstationary Electronic States and Site-Selective Reactivity The Journal of Physical Chemistry A. 101: 7702-7710. DOI: 10.1021/jp9715742  0.189
2013 Šulc M, Hernández H, Martínez TJ, Vaní?ek J. Relation of exact Gaussian basis methods to the dephasing representation: theory and application to time-resolved electronic spectra. The Journal of Chemical Physics. 139: 034112. PMID 23883015 DOI: 10.1063/1.4813124  0.188
2021 Horst M, Yang J, Meisner J, Kouznetsova TB, Martínez TJ, Craig SL, Xia Y. Understanding the Mechanochemistry of Ladder-Type Cyclobutane Mechanophores by Single Molecule Force Spectroscopy. Journal of the American Chemical Society. PMID 34310875 DOI: 10.1021/jacs.1c05857  0.188
1999 Ben-Nun M, Martı́nez TJ. Exploiting temporal nonlocality to remove scaling bottlenecks in nonadiabatic quantum dynamics The Journal of Chemical Physics. 110: 4134-4140. DOI: 10.1063/1.478297  0.186
2000 Ben-Nun M, Martı́nez TJ. A multiple spawning approach to tunneling dynamics The Journal of Chemical Physics. 112: 6113-6121. DOI: 10.1063/1.481213  0.186
2018 Sachse T, Martínez TJ, Dietzek B, Presselt M. A program for automatically predicting supramolecular aggregates and its application to urea and porphin. Journal of Computational Chemistry. PMID 29297589 DOI: 10.1002/Jcc.25151  0.186
2007 Chowdary PD, Martinez TJ, Gruebele M. The vibrationally adiabatic torsional potential energy surface of trans-stilbene Chemical Physics Letters. 440: 7-11. DOI: 10.1016/J.Cplett.2007.03.109  0.185
2023 Chang AM, Meisner J, Xu R, Martínez TJ. Efficient Acceleration of Reaction Discovery in the Nanoreactor: Phenyl Radical Oxidation Chemistry. The Journal of Physical Chemistry. A. 127: 9580-9589. PMID 37934692 DOI: 10.1021/acs.jpca.3c05484  0.184
2016 Parrish RM, Hohenstein EG, Martínez TJ. A "balanced" block Davidson-Liu algorithm. Journal of Chemical Theory and Computation. PMID 27253494 DOI: 10.1021/Acs.Jctc.6B00459  0.18
2014 Silberstein MN, Cremar LD, Beiermann BA, Kramer SB, Martinez TJ, White SR, Sottos NR. Modeling mechanophore activation within a viscous rubbery network Journal of the Mechanics and Physics of Solids. 63: 141-153. DOI: 10.1016/J.Jmps.2013.09.014  0.179
2018 Song C, Martínez TJ. Reduced scaling CASPT2 using supporting subspaces and tensor hyper-contraction. The Journal of Chemical Physics. 149: 044108. PMID 30068209 DOI: 10.1063/1.5037283  0.179
2022 Stricker F, Sanchez DM, Raucci U, Dolinski ND, Zayas MS, Meisner J, Hawker CJ, Martínez TJ, Read de Alaniz J. A multi-stage single photochrome system for controlled photoswitching responses. Nature Chemistry. PMID 35681046 DOI: 10.1038/s41557-022-00947-8  0.178
2020 van den Berg JL, Neumann KI, Harrison JA, Weir H, Hohenstein EG, Martínez TJ, Zare RN. Strong, Nonresonant Radiation Enhances Photoisomerization of Stilbene in Solution. The Journal of Physical Chemistry. A. PMID 32585098 DOI: 10.1021/Acs.Jpca.0C02732  0.177
2013 Hohenstein EG, Kokkila SI, Parrish RM, Martínez TJ. Tensor hypercontraction equation-of-motion second-order approximate coupled cluster: electronic excitation energies in O(N4) time. The Journal of Physical Chemistry. B. 117: 12972-8. PMID 23964979 DOI: 10.1021/Jp4021905  0.176
2016 Parrish RM, Hohenstein EG, Martínez TJ. Comment on "Positive semidefinite tensor factorizations of the two-electron integral matrix for low-scaling ab initio electronic structure" [J. Chem. Phys. 143, 064103 (2015)]. The Journal of Chemical Physics. 145: 027101. PMID 27421428 DOI: 10.1063/1.4955316  0.173
2017 Kjønstad EF, Myhre RH, Martínez TJ, Koch H. Crossing conditions in coupled cluster theory. The Journal of Chemical Physics. 147: 164105. PMID 29096474 DOI: 10.1063/1.4998724  0.172
2019 Kosuge T, Zhu X, Lau VM, Aoki D, Martínez TJ, Moore JS, Otsuka H. Multicolor Mechanochromism of a Polymer/Silica Composite with Dual Distinct Mechanophores. Journal of the American Chemical Society. PMID 30676738 DOI: 10.1021/Jacs.8B13310  0.172
2015 Kim J, Tao H, Martinez TJ, Bucksbaum P. Ab initio multiple spawning on laser-dressed states: A study of 1,3-cyclohexadiene photoisomerization via light-induced conical intersections Journal of Physics B: Atomic, Molecular and Optical Physics. 48. DOI: 10.1088/0953-4075/48/16/164003  0.172
2011 Ye D, Titov A, Kindratenko V, Ufimtsev I, Martinez T. Porting optimized GPU kernels to a multi-core CPU: Computational quantum chemistry application example Proceedings - 2011 Symposium On Application Accelerators in High-Performance Computing, Saahpc 2011. 72-75. DOI: 10.1109/SAAHPC.2011.8  0.171
2021 Raucci U, Valentini A, Pieri E, Weir H, Seritan S, Martínez TJ. Voice-controlled quantum chemistry. Nature Computational Science. 1: 42-45. PMID 38217155 DOI: 10.1038/s43588-020-00012-9  0.17
2014 Presselt M, Wojdyr M, Beenken WJD, Kruk M, Martínez TJ. Steric and electronic contributions to the core reactivity of monoprotonated 5-phenylporphyrin: A DFT study Chemical Physics Letters. 603: 21-27. DOI: 10.1016/j.cplett.2014.04.011  0.169
1998 Ben-Nun M, Martı́nez TJ. Direct evaluation of the Pauli repulsion energy using `classical' wavefunctions in hybrid quantum/classical potential energy surfaces Chemical Physics Letters. 290: 289-295. DOI: 10.1016/S0009-2614(98)00486-2  0.169
2008 Burghardt I, Martinez T, Sibert E. A tribute to James T. (Casey) Hynes. The Journal of Physical Chemistry. B. 112: 189-205. PMID 18183953 DOI: 10.1021/Jp710651A  0.169
2022 Sakshuwong S, Weir H, Raucci U, Martínez TJ. Bringing chemical structures to life with augmented reality, machine learning, and quantum chemistry. The Journal of Chemical Physics. 156: 204801. PMID 35649841 DOI: 10.1063/5.0090482  0.166
2004 Choi H, Baeck KK, Martinez TJ. Ab initio equation-of-motion coupled-cluster molecular dynamics with ‘on-the-fly’ diabatization: the doublet-like feature in the photoabsorption spectrum of ethylene Chemical Physics Letters. 398: 407-413. DOI: 10.1016/j.cplett.2004.09.084  0.165
2018 Parrish RM, Thompson KC, Martínez TJ. Large-Scale Functional Group Symmetry Adapted Perturbation Theory on Graphical Processing Units. Journal of Chemical Theory and Computation. PMID 29345933 DOI: 10.1021/acs.jctc.7b01053  0.163
2014 Wang J, Kouznetsova TB, Kean ZS, Fan L, Mar BD, Martínez TJ, Craig SL. A remote stereochemical lever arm effect in polymer mechanochemistry. Journal of the American Chemical Society. 136: 15162-5. PMID 25322470 DOI: 10.1021/Ja509585G  0.162
2000 Moore DB, Martínez TJ. Ab InitioStudy of Coupled Electron Transfer/Proton Transfer in CytochromecOxidase The Journal of Physical Chemistry A. 104: 2367-2374. DOI: 10.1021/jp992559v  0.158
2013 Parrish RM, Hohenstein EG, Schunck NF, Sherrill CD, Martínez TJ. Exact tensor hypercontraction: a universal technique for the resolution of matrix elements of local finite-range N-body potentials in many-body quantum problems. Physical Review Letters. 111: 132505. PMID 24116775 DOI: 10.1103/Physrevlett.111.132505  0.157
2023 Holm S, Unzueta PA, Thompson K, Martínez TJ. Single-Point Extrapolation to the Complete Basis Set Limit through Deep Learning. Journal of Chemical Theory and Computation. PMID 37192428 DOI: 10.1021/acs.jctc.2c01298  0.157
1998 Ben-Nun M, Martínez TJ. Electronic Energy Funnels in Cis−Trans Photoisomerization of Retinal Protonated Schiff Base† The Journal of Physical Chemistry A. 102: 9607-9617. DOI: 10.1021/jp9823289  0.156
2014 Parrish RM, Sherrill CD, Hohenstein EG, Kokkila SI, Martínez TJ. Communication: Acceleration of coupled cluster singles and doubles via orbital-weighted least-squares tensor hypercontraction. The Journal of Chemical Physics. 140: 181102. PMID 24832246 DOI: 10.1063/1.4876016  0.155
2016 Briz JA, Zakari-Issoufou AA, Fallot M, Porta A, Algora A, Tain JL, Valencia E, Rice S, Guadilla V, Agramunt J, Äystö J, Bowry M, Bui VM, Caballero-Folch R, Cano-Ott D, ... ... Martinez T, et al. Total absorption spectroscopy of fission fragments relevant for reactor antineutrino spectra determination Acta Physica Polonica B. 47: 755-762. DOI: 10.5506/Aphyspolb.47.755  0.154
2009 Tempel DG, Martínez TJ, Maitra NT. Revisiting molecular dissociation in density functional theory: A simple model Journal of Chemical Theory and Computation. 5: 770-780. DOI: 10.1021/ct800535c  0.151
2009 Ufimtsev IS, Martinez TJ. Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field (SCF) Implementation. Journal of Chemical Theory and Computation. 5: 3138. PMID 26609993 DOI: 10.1021/ct900433g  0.151
2012 Parrish RM, Hohenstein EG, Martínez TJ, Sherrill CD. Tensor hypercontraction. II. Least-squares renormalization. The Journal of Chemical Physics. 137: 224106. PMID 23248986 DOI: 10.1063/1.4768233  0.148
2023 Horst M, Meisner J, Yang J, Kouznetsova TB, Craig SL, Martínez TJ, Xia Y. Mechanochemistry of Pterodactylane. Journal of the American Chemical Society. PMID 38131266 DOI: 10.1021/jacs.3c11293  0.147
2015 Liekhus-Schmaltz CE, Tenney I, Osipov T, Sanchez-Gonzalez A, Berrah N, Boll R, Bomme C, Bostedt C, Bozek JD, Carron S, Coffee R, Devin J, Erk B, Ferguson KR, Field RW, ... ... Martinez TJ, et al. Ultrafast isomerization initiated by X-ray core ionization. Nature Communications. 6: 8199. PMID 26354002 DOI: 10.1038/Ncomms9199  0.146
2013 Silberstein MN, Min K, Cremar LD, Degen CM, Martinez TJ, Aluru NR, White SR, Sottos NR. Modeling mechanophore activation within a crosslinked glassy matrix Journal of Applied Physics. 114. DOI: 10.1063/1.4812581  0.142
2015 Michaelides A, Martinez TJ, Alavi A, Kresse G, Manby FR. Preface: Special Topic Section on Advanced Electronic Structure Methods for Solids and Surfaces. The Journal of Chemical Physics. 143: 102601. PMID 26373993 DOI: 10.1063/1.4930182  0.142
2001 Morales J, Martínez TJ. Classical Fluctuating Charge Theories:  The Maximum Entropy Valence Bond Formalism and Relationships to Previous Models† The Journal of Physical Chemistry A. 105: 2842-2850. DOI: 10.1021/jp003823j  0.14
2015 Tain JL, Agramunt J, Algora A, Aprahamian A, Cano-Ott D, Fraile LM, Guerrero C, Jordan MD, Mach H, Martinez T, Mendoza E, Mosconi M, Nolte R. The sensitivity of LaBr3:Ce scintillation detectors to low energy neutrons: Measurement and Monte Carlo simulation Nuclear Instruments and Methods in Physics Research, Section a: Accelerators, Spectrometers, Detectors and Associated Equipment. 774: 17-24. DOI: 10.1016/J.Nima.2014.11.060  0.14
2004 Morales J, Martínez TJ. A New Approach to Reactive Potentials with Fluctuating Charges:  Quadratic Valence-Bond Model The Journal of Physical Chemistry A. 108: 3076-3084. DOI: 10.1021/jp0369342  0.135
2015 Zakari-Issoufou AA, Fallot M, Porta A, Algora A, Tain JL, Valencia E, Rice S, Bui VM, Cormon S, Estienne M, Agramunt J, Äystö J, Bowry M, Briz JA, Caballero-Folch R, ... ... Martinez T, et al. Total Absorption Spectroscopy Study of ^{92}Rb Decay: A Major Contributor to Reactor Antineutrino Spectrum Shape. Physical Review Letters. 115: 102503. PMID 26382674 DOI: 10.1103/Physrevlett.115.102503  0.133
2016 Champeil E, Cheng SY, Huang BT, Conchero-Guisan M, Martinez T, Paz MM, Sapse AM. Synthesis of Mitomycin C and Decarbamoylmitomycin C N(2) deoxyguanosine-adducts. Bioorganic Chemistry. 65: 90-99. PMID 26894558 DOI: 10.1016/j.bioorg.2016.02.003  0.132
2020 Sherrill CD, Manolopoulos DE, Martínez TJ, Michaelides A. Electronic structure software. The Journal of Chemical Physics. 153: 070401. PMID 32828107 DOI: 10.1063/5.0023185  0.132
2015 Sigala PA, Ruben EA, Liu CW, Piccoli PM, Hohenstein EG, Martínez TJ, Schultz AJ, Herschlag D. Determination of Hydrogen Bond Structure in Water versus Aprotic Environments To Test the Relationship Between Length and Stability. Journal of the American Chemical Society. 137: 5730-40. PMID 25871450 DOI: 10.1021/Ja512980H  0.128
2017 Chen Z, Mercer JAM, Zhu X, Romaniuk JAH, Pfattner R, Cegelski L, Martinez TJ, Burns NZ, Xia Y. Mechanochemical unzipping of insulating polyladderene to semiconducting polyacetylene. Science (New York, N.Y.). 357: 475-479. PMID 28774923 DOI: 10.1126/Science.Aan2797  0.127
2007 Ufimtsev IS, Kalinichev AG, Martinez TJ, Kirkpatrick RJ. A charged ring model for classical OH−(aq) simulations Chemical Physics Letters. 442: 128-133. DOI: 10.1016/j.cplett.2007.05.042  0.125
2019 Thomson B, Both J, Wu Y, Parrish RM, Martínez TJ, Boxer SG. Perturbation of Short Hydrogen Bonds in Photoactive Yellow Protein via Noncanonical Amino Acid Incorporation. The Journal of Physical Chemistry. B. PMID 31117606 DOI: 10.2210/Pdb6Mmd/Pdb  0.125
2003 Jungclaus A, Algora A, Axiotis M, Borge MJG, Fernández MA, Gadea A, Galindo E, Hausmann M, Lenzi S, Martinez T, Napoli DR, Piqueras I, Schwengner R, Ur C. High-spin states in the vibrational nucleus 114 Cd The European Physical Journal A. 20: 55-56. DOI: 10.1140/epja/i2002-10322-3  0.123
2019 Parrish RM, Zhao Y, Hohenstein EG, Martínez TJ. Rank reduced coupled cluster theory. I. Ground state energies and wavefunctions. The Journal of Chemical Physics. 150: 164118. PMID 31042891 DOI: 10.1063/1.5092505  0.121
2024 Hicks CB, Martinez TJ. Massively scalable workflows for quantum chemistry: BigChem and ChemCloud. The Journal of Chemical Physics. 160. PMID 38591672 DOI: 10.1063/5.0190834  0.12
2024 Ellerbrock R, Johnson KG, Seritan S, Hoppe H, Zhang JH, Lenzen T, Weike T, Manthe U, Martínez TJ. QuTree: A tree tensor network package. The Journal of Chemical Physics. 160. PMID 38497471 DOI: 10.1063/5.0180233  0.12
2007 Ben-Nun M, Martínez TJ. A continuous spawning method for nonadiabatic dynamics and validation for the zero-temperature spin-boson problem Israel Journal of Chemistry. 47: 75-88. DOI: 10.1560/IJC.47.1.75  0.12
1997 Ben-Nun M, Martínez T, Levine R. Multiple traversals of a conical intersection: electronic quenching in Na∗ + H2 Chemical Physics Letters. 270: 319-326. DOI: 10.1016/S0009-2614(97)00369-2  0.118
2013 Oberstedt A, Belgya T, Billnert R, Borcea R, Bryå T, Geerts W, Göök A, Hambsch FJ, Kis Z, Martinez T, Oberstedt S, Szentmiklosi L, Takàcs K, Vidali M. Improved values for the characteristics of prompt-fission γ-ray spectra from the reaction 235U(nth,f) Physical Review C - Nuclear Physics. 87. DOI: 10.1103/Physrevc.87.051602  0.114
1999 Cabarcos OM, Weinheimer CJ, Martı́nez TJ, Lisy JM. The solvation of chloride by methanol—surface versus interior cluster ion states The Journal of Chemical Physics. 110: 9516-9526. DOI: 10.1063/1.478916  0.113
2015 Molloy S, Fesinmeyer RM, Martinez T, Murphy PD, Pelletier ME, Treuheit MJ, Kleemann GR. Optimized UV detection of high-concentration antibody formulations using high-throughput SE-HPLC. Journal of Pharmaceutical Sciences. 104: 508-14. PMID 25392911 DOI: 10.1002/jps.24240  0.11
2023 Xu W, Sanchez DM, Raucci U, Zhou H, Dong X, Hu M, Bardeen CJ, Martinez TJ, Hayward RC. Photo-actuators via epitaxial growth of microcrystal arrays in polymer membranes. Nature Materials. PMID 37500960 DOI: 10.1038/s41563-023-01610-4  0.109
2021 Weir H, Thompson K, Woodward A, Choi B, Braun A, Martínez TJ. ChemPix: automated recognition of hand-drawn hydrocarbon structures using deep learning. Chemical Science. 12: 10622-10633. PMID 34447555 DOI: 10.1039/d1sc02957f  0.104
2010 Modamio V, Jungclaus A, Algora A, Bazzacco D, Escrig D, Fraile LM, Lenzi S, Marginean N, Martinez T, Napoli DR, Schwengner R, Ur CA. New high-spin isomer and quasiparticle-vibration coupling in Ir187 Physical Review C - Nuclear Physics. 81. DOI: 10.1103/Physrevc.81.054304  0.1
2021 Sanchez DM, Raucci U, Martínez TJ. In Silico Discovery of Multistep Chemistry Initiated by a Conical Intersection: The Challenging Case of Donor-Acceptor Stenhouse Adducts. Journal of the American Chemical Society. PMID 34761899 DOI: 10.1021/jacs.1c06648  0.098
2013 Lederer C, Massimi C, Altstadt S, Andrzejewski J, Audouin L, Barbagallo M, Bécares V, Be?vá? F, Belloni F, Berthoumieux E, Billowes J, Boccone V, Bosnar D, Brugger M, Calviani M, et al. Neutron capture cross section of unstable 63Ni: implications for stellar nucleosynthesis. Physical Review Letters. 110: 022501. PMID 23383895 DOI: 10.1103/Physrevlett.110.022501  0.096
2020 List NH, Dempwolff AL, Dreuw A, Norman P, Martínez TJ. Probing competing relaxation pathways in malonaldehyde with transient X-ray absorption spectroscopy Chemical Science. 11: 4180-4193. DOI: 10.1039/D0Sc00840K  0.096
2015 Zakari-Issoufou AA, Fallot M, Porta A, Algora A, Tain JL, Valencia E, Rice S, Bui VM, Cormon S, Estienne M, Agramunt J, Äystö J, Bowry M, Briz JA, Caballero-Folch R, ... ... Martinez T, et al. Total Absorption Spectroscopy Study of Rb 92 Decay: A Major Contributor to Reactor Antineutrino Spectrum Shape Physical Review Letters. 115. DOI: 10.1103/PhysRevLett.115.102503  0.094
2010 Alizadegan R, Hsia KJ, Martinez TJ. A divide and conquer real space finite-element Hartree-Fock method Journal of Chemical Physics. 132. DOI: 10.1063/1.3290949  0.094
2021 Pinney MM, Mokhtari DA, Akiva E, Yabukarski F, Sanchez DM, Liang R, Doukov T, Martinez TJ, Babbitt PC, Herschlag D. Parallel molecular mechanisms for enzyme temperature adaptation. Science (New York, N.Y.). 371. PMID 33674467 DOI: 10.1126/science.aay2784  0.092
2010 Shi G, Kindratenko V, Ufimtsev I, Martinez T. Direct self-consistent field computations on GPU clusters Proceedings of the 2010 Ieee International Symposium On Parallel and Distributed Processing, Ipdps 2010. DOI: 10.1109/IPDPS.2010.5470478  0.089
2014 Rizzo C, Boenzi S, Inglese R, la Marca G, Muraca M, Martinez TB, Johnson DW, Zelli E, Dionisi-Vici C. Measurement of succinyl-carnitine and methylmalonyl-carnitine on dried blood spot by liquid chromatography-tandem mass spectrometry. Clinica Chimica Acta; International Journal of Clinical Chemistry. 429: 30-3. PMID 24269713 DOI: 10.1016/j.cca.2013.11.016  0.088
2019 Meisner J, Zhu X, Martínez TJ. Computational Discovery of the Origins of Life. Acs Central Science. 5: 1493-1495. PMID 31572775 DOI: 10.1021/acscentsci.9b00832  0.083
2014 Santiago F, Bagwell B, Martinez T, Restaino S, Krishna S. Large aperture adaptive doublet polymer lens for imaging applications. Journal of the Optical Society of America. a, Optics, Image Science, and Vision. 31: 1842-6. PMID 25121541 DOI: 10.1364/Josaa.31.001842  0.081
2003 Toniolo A, Granucci G, Martínez TJ. Conical Intersections in Solution:  A QM/MM Study Using Floating Occupation Semiempirical Configuration Interaction Wave Functions The Journal of Physical Chemistry A. 107: 3822-3830. DOI: 10.1021/jp022468p  0.077
2015 Martinez T, Texier H, Nahoum V, Lafitte C, Cioci G, Heux L, Dumas B, O'Donohue M, Gaulin E, Dumon C. Probing the Functions of Carbohydrate Binding Modules in the CBEL Protein from the Oomycete Phytophthora parasitica. Plos One. 10: e0137481. PMID 26390127 DOI: 10.1371/journal.pone.0137481  0.076
2023 Ceriotti M, Jensen L, Manolopoulos DE, Martinez T, Reichman DR, Sciortino F, Sherrill CD, Shi Q, Vega C, Wang LS, Weiss EA, Zhu X, Stein J, Lian T. 2021 JCP Emerging Investigator Special Collection. The Journal of Chemical Physics. 158: 060401. PMID 36792492 DOI: 10.1063/5.0143234  0.076
2021 Ceriotti M, Jensen L, Manolopoulos DE, Martinez TJ, Michaelides A, Ogilvie JP, Reichman DR, Shi Q, Straub JE, Vega C, Wang LS, Weiss E, Zhu X, Stein JL, Lian T. 2020 JCP Emerging Investigator Special Collection. The Journal of Chemical Physics. 155: 230401. PMID 34937385 DOI: 10.1063/5.0078934  0.076
2020 Ediger MD, Jensen L, Manolopoulos DE, Martinez TJ, Michaelides A, Reichman DR, Sherrill CD, Shi Q, Straub JE, Vega C, Wang LS, Brigham EC, Lian T. JCP Emerging Investigator Special Collection 2019. The Journal of Chemical Physics. 153: 110402. PMID 32962387 DOI: 10.1063/5.0021946  0.076
2015 Tain JL, Algora A, Agramunt J, Guadilla V, Jordan MD, Montaner-Pizá A, Rubio B, Valencia E, Cano-Ott D, Gelletly W, Martinez T, Mendoza E, Podolyák Z, Regan P, Simpson J, et al. A decay total absorption spectrometer for DESPEC at FAIR Nuclear Instruments and Methods in Physics Research, Section a: Accelerators, Spectrometers, Detectors and Associated Equipment. 803: 36-46. DOI: 10.1016/j.nima.2015.09.009  0.076
2013 Martínez T, Wright N, López-Fraga M, Jiménez AI, Pañeda C. Silencing human genetic diseases with oligonucleotide-based therapies. Human Genetics. 132: 481-93. PMID 23494242 DOI: 10.1007/s00439-013-1288-1  0.074
2015 Martínez T, Jiménez AI, Pañeda C. Short-interference RNAs: becoming medicines. Excli Journal. 14: 714-46. PMID 26648823 DOI: 10.17179/excli2015-297  0.065
2014 Martínez T, Chivato T, Roldán M, Miñana E. Does intravenous saline infusion compromise the stability of [123I] meta-iodobenzylguanidine? Nuclear Medicine Communications. 35: 683-5. PMID 24637441 DOI: 10.1097/MNM.0000000000000103  0.065
2012 Haas EM, Nieto J, Ragupathi M, Martinez T. Single-incision laparoscopic sigmoid resection: a technical video of a standardized approach. Diseases of the Colon and Rectum. 55: 1179-82. PMID 23044680 DOI: 10.1097/DCR.0b013e31826b74ef  0.065
2012 Lete I, Pérez-Campos E, Correa M, Robledo J, de la Viuda E, Martínez T, Mendoza N, Parera N, González JV, Gómez MA, Castelo-Branco C, Lobo P. Continuation rate of combined hormonal contraception: a prospective multicenter study. Journal of Women's Health (2002). 21: 490-5. PMID 22029626 DOI: 10.1089/jwh.2011.2967  0.064
2014 Martínez TF, Phillips JW, Karanja KK, Polaczek P, Wang CM, Li BC, Campbell JL, Dervan PB. Replication stress by Py-Im polyamides induces a non-canonical ATR-dependent checkpoint response. Nucleic Acids Research. 42: 11546-59. PMID 25249630 DOI: 10.1093/Nar/Gku866  0.063
2014 Martinez T, Miñana E, Martín-Falquina TC, Fuente T. Influence of radiolytic-produced hydrogen peroxide on the stability of commercial kit (99m) technetium-exametazime preparation. Journal of Labelled Compounds & Radiopharmaceuticals. 57: 49-52. PMID 24448745 DOI: 10.1002/jlcr.3113  0.063
2016 Nabli F, Martinez T, Fages F, Soliman S. On enumerating minimal siphons in Petri nets using CLP and SAT solvers: theoretical and practical complexity Constraints. 21: 251-276. DOI: 10.1007/s10601-015-9190-1  0.062
2014 Valencia E, Algora A, Tain JL, Rice S, Agramunt J, Zakari-Issoufou AA, Äystö J, Bowry M, Bui VM, Caballero-Folch R, Cano-Ott D, Eloma V, Eronen T, Estevez E, Farrelly GF, ... ... Martinez T, et al. Gamma/neutron competition above the neutron separation energy in delayed neutron emitters Epj Web of Conferences. 66. DOI: 10.1051/epjconf/20146602002  0.062
2015 Guadilla V, Algora A, Tain JL, Agramunt J, Äystö J, Briz A, Cano-Ott D, Cucoanes A, Eronen T, Estienne M, Fallot M, Fraile LM, Ganioglu E, Gelletly W, Gorelov D, ... ... Martinez T, et al. First experiment with the NUSTAR/FAIR Decay Total Absorption γ-Ray Spectrometer (DTAS) at the IGISOL IV facility Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. DOI: 10.1016/j.nimb.2015.12.018  0.058
2015 Martinez T, Gallego Peinado M, Sanchez Catalicio J, Perez Angel F, Contreras Gutiérrez J. Validation of the leukocyte labeling procedure with a new kit for the preparation of technetium-99m exametazime injection. Nuclear Medicine Communications. PMID 26657217 DOI: 10.1097/MNM.0000000000000458  0.056
2015 Hargrove AE, Martinez TF, Hare AA, Kurmis AA, Phillips JW, Sud S, Pienta KJ, Dervan PB. Tumor Repression of VCaP Xenografts by a Pyrrole-Imidazole Polyamide. Plos One. 10: e0143161. PMID 26571387 DOI: 10.1371/Journal.Pone.0143161  0.056
2021 Sherrill CD, Manolopoulos DE, Martínez TJ, Ceriotti M, Michaelides A. Chemical physics software. The Journal of Chemical Physics. 155: 010401. PMID 34241402 DOI: 10.1063/5.0059886  0.055
2015 Smith MR, Martinez T, Giraud-Carrier C. The potential benefits of data set filtering and learning algorithm hyperparameter optimization Ceur Workshop Proceedings. 1455: 3-14.  0.054
2010 Oberstedt S, Belgya T, Billnert R, Borcea R, Cano-Ott D, Göök A, Hambsch F, Karlsson J, Kis Z, Martinez T, Oberstedt A, Szentmiklosi L, Takác K. Correlation measurements of fission-fragment properties Epj Web of Conferences. 8: 03005. DOI: 10.1051/epjconf/20100803005  0.054
2014 Martínez T, González MV, Roehl I, Wright N, Pañeda C, Jiménez AI. In vitro and in vivo efficacy of SYL040012, a novel siRNA compound for treatment of glaucoma. Molecular Therapy : the Journal of the American Society of Gene Therapy. 22: 81-91. PMID 24025749 DOI: 10.1038/mt.2013.216  0.052
2013 Larroque M, Belmas E, Martinez T, Vergnes S, Ladouce N, Lafitte C, Gaulin E, Dumas B. Pathogen-associated molecular pattern-triggered immunity and resistance to the root pathogen Phytophthora parasitica in Arabidopsis. Journal of Experimental Botany. 64: 3615-25. PMID 23851194 DOI: 10.1093/jxb/ert195  0.052
2015 Molloy S, Matthew Fesinmeyer R, Martinez T, Murphy Piedmonte D, Pelletier MEH, Treuheit MJ, Kleemann GR. Optimized UV Detection of High-Concentration Antibody Formulations using High-Throughput SE-HPLC. 2015. J Pharm Sci 104:508-514 Journal of Pharmaceutical Sciences. DOI: 10.1002/jps.24445  0.052
2014 Sáez MI, Martínez TF, Cárdenas S, Suárez MD. Effects of vacuum and modified atmosphere on textural parameters and structural proteins of cultured meagre (Argyrosomus regius) fillets. Food Science and Technology International = Ciencia Y Tecnologia De Los Alimentos Internacional. PMID 25082978 DOI: 10.1177/1082013214545694  0.052
2015 Martinez TA, Timmer D, Jones R, Tarawneh C. Developing empirical models of railroad bearing grease 2015 Joint Rail Conference, Jrc 2015. DOI: 10.1115/JRC2015-5746  0.049
2012 Amat-Valero M, Václav R, Martínez T, Valera F. Mixed life-history strategies in a local population of the ectoparasitic fly Carnus hemapterus. Parasitology. 139: 1045-53. PMID 22716907 DOI: 10.1017/S0031182012000534  0.048
2014 Liekhus-Schmalt CE, Tenney I, Osipov T, Bucksbaum PH, Petrovic VS, Belkacem A, Berrah N, Boll R, Bomme C, Bostedt C, Bozek JD, Carron S, Coffee RN, Devin J, Erk B, ... ... Martinez T, et al. Mapping the fragmentation of acetylene with femtosecond resolution pump probe at LCLS using 2, 3, and 4 particle coincidences Optics Infobase Conference Papers.  0.047
2014 Liekhus-Schmalt CE, Tenney I, Osipov T, Bucksbaum PH, Petrovic VS, Belkacem A, Berrah N, Boll R, Bomme C, Bostedt C, Bozek JD, Carron S, Coffee RN, Devin J, Erk B, ... ... Martinez T, et al. Mapping the fragmentation of acetylene with femtosecond resolution pump probe at LCLS using 2, 3, and 4 particle coincidences Optics Infobase Conference Papers.  0.047
2014 Liekhus-Schmalt CE, Tenney I, Osipov T, Bucksbaum PH, Petrovic VS, Belkacem A, Berrah N, Boll R, Bomme C, Bostedt C, Bozek JD, Carron S, Coffee RN, Devin J, Erk B, ... ... Martinez T, et al. Mapping the fragmentation of acetylene with femtosecond resolution pump probe at LCLS using 2, 3, and 4 particle coincidences Optics Infobase Conference Papers.  0.047
2013 Martínez-García MC, Martínez T, Pañeda C, Gallego P, Jimenez AI, Merayo J. Differential expression and localization of transient receptor potential vanilloid 1 in rabbit and human eyes. Histology and Histopathology. 28: 1507-16. PMID 23709255  0.044
2014 Iacovitti L, Wei X, Cai J, Kostuk EW, Lin R, Gorodinsky A, Roman P, Kusek G, Das SS, Dufour A, Martinez TN, Dave KD. The hTH-GFP reporter rat model for the study of Parkinson's disease. Plos One. 9: e113151. PMID 25462571 DOI: 10.1371/Journal.Pone.0113151  0.044
2012 Pedraza R, Ragupathi M, Martinez T, Haas EM. Robotic-assisted laparoscopic primary repair of acute iatrogenic colonic perforation: case report. The International Journal of Medical Robotics + Computer Assisted Surgery : Mrcas. 8: 375-8. PMID 22736571 DOI: 10.1002/rcs.1447  0.043
2012 Martinez TN, Greenamyre JT. Toxin models of mitochondrial dysfunction in Parkinson's disease. Antioxidants & Redox Signaling. 16: 920-34. PMID 21554057 DOI: 10.1089/ars.2011.4033  0.042
2012 Martinez TN, Chen X, Bandyopadhyay S, Merrill AH, Tansey MG. Ceramide sphingolipid signaling mediates Tumor Necrosis Factor (TNF)-dependent toxicity via caspase signaling in dopaminergic neurons. Molecular Neurodegeneration. 7: 45. PMID 22973882 DOI: 10.1186/1750-1326-7-45  0.041
2012 Ferreira NE, Omae S, Pereira A, Rodrigues MV, Miyakawa AA, Campos LC, Santos PC, Dallan LA, Martinez TL, Santos RD, Mill JG, Krieger JE, Pereira AC. Thioredoxin interacting protein genetic variation is associated with diabetes and hypertension in the Brazilian general population. Atherosclerosis. 221: 131-6. PMID 22236479 DOI: 10.1016/j.atherosclerosis.2011.12.009  0.041
2013 Nguyen TA, Frank-Cannon T, Martinez TN, Ruhn KA, Marvin M, Casey B, Treviño I, Hong JJ, Goldberg MS, Tansey MG. Analysis of inflammation-related nigral degeneration and locomotor function in DJ-1(-/-) mice. Journal of Neuroinflammation. 10: 50. PMID 23622116 DOI: 10.1186/1742-2094-10-50  0.041
2014 McFarland BK, Berrah N, Bostedt C, Bozek J, Bucksbaum PH, Castagna JC, Coffee RN, Cryan JP, Fang L, Farrell JP, Feifel R, Gaffney KJ, Glownia JM, Martinez TJ, Miyabe S, et al. Experimental strategies for optical pump - Soft x-ray probe experiments at the LCLS Journal of Physics: Conference Series. 488. DOI: 10.1088/1742-6596/488/1/012015  0.04
2015 Eneanya ND, Goff SL, Martinez T, Gutierrez N, Klingensmith J, Griffith JL, Garvey C, Kitsen J, Germain MJ, Marr L, Berzoff J, Unruh M, Cohen LM. Shared decision-making in end-stage renal disease: a protocol for a multi-center study of a communication intervention to improve end-of-life care for dialysis patients. Bmc Palliative Care. 14: 30. PMID 26066323 DOI: 10.1186/S12904-015-0027-X  0.039
2015 Andriescu E, Martinez T, Issarny V. Composing message translators and inferring their data types using tree automata Lecture Notes in Computer Science (Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). 9033: 35-50. DOI: 10.1007/978-3-662-46675-9_3  0.039
2012 Martínez T, Vazquez GJ, Aquino EE, Goering RV, Robledo IE. Two novel class I integron arrays containing IMP-18 metallo-β-lactamase gene in Pseudomonas aeruginosa clinical isolates from Puerto Rico. Antimicrobial Agents and Chemotherapy. 56: 2119-21. PMID 22290962 DOI: 10.1128/AAC.05758-11  0.034
2013 Cortés JA, Cuervo S, Gómez CA, Bermúdez D, Martínez T, Arroyo P. Febrile neutropenia in the tropics: a description of clinical and microbiological findings and their impact on inappropriate therapy currently used at an oncological reference center in Colombia. BioméDica : Revista Del Instituto Nacional De Salud. 33: 70-7. PMID 23715309 DOI: 10.1590/S0120-41572013000100009  0.033
2012 Farrell JP, McFarland BK, Berrah N, Bostedt C, Bozek J, Bucksbaum PH, Coffee R, Cryan J, Fang L, Feifel R, Gaffney K, Glownia J, Martinez T, Mucke M, Murphy B, et al. Ultrafast nucleobase photoprotection probed by soft x-rays Laser Science, Ls 2012.  0.033
2014 Bricceno KV, Martinez T, Leikina E, Duguez S, Partridge TA, Chernomordik LV, Fischbeck KH, Sumner CJ, Burnett BG. Survival motor neuron protein deficiency impairs myotube formation by altering myogenic gene expression and focal adhesion dynamics. Human Molecular Genetics. 23: 4745-57. PMID 24760765 DOI: 10.1093/Hmg/Ddu189  0.031
2010 Martinez TJ. Physical chemistry: Seaming is believing. Nature. 467: 412-3. PMID 20864993 DOI: 10.1038/467412a  0.031
2015 Bourret R, Vialla F, Martinez T, Cazaledes D, Giquel C. Abuse in institution: Developments in French criminal law Revue De Medecine Legale. 6: 24-28. DOI: 10.1016/j.medleg.2015.01.001  0.031
2012 Farrell JP, McFarland BK, Berrah N, Bostedt C, Bozek J, Bucksbaum PH, Coffee R, Cryan J, Fang L, Feifel R, Gaffney K, Glownia J, Martinez T, Mucke M, Murphy B, et al. Ultrafast X-ray probe of nucleobase photoprotection 2012 Conference On Lasers and Electro-Optics, Cleo 2012.  0.03
2012 Farrell JP, McFarland BK, Berrah N, Bostedt C, Bozek J, Bucksbaum PH, Coffee R, Cryan J, Fang L, Feifel R, Gaffney K, Glownia J, Martinez T, Mucke M, Murphy B, et al. Ultrafast X-ray probe of nucleobase photoprotection 2012 Conference On Lasers and Electro-Optics, Cleo 2012.  0.03
2011 Katz JR, Martinez T, Paul R. Community-based participatory research and American Indian/Alaska Native nurse practitioners: a partnership to promote adolescent health. Journal of the American Academy of Nurse Practitioners. 23: 298-304. PMID 21649772 DOI: 10.1111/j.1745-7599.2011.00613.x  0.029
2015 Miñana E, Roldán M, Chivato T, Martínez T, Fuente T. Quantification of the chromosomal radiation damage induced by labelling of leukocytes with [18F]FDG. Nuclear Medicine and Biology. 42: 720-3. PMID 26025178 DOI: 10.1016/j.nucmedbio.2015.05.002  0.029
2011 Gashler M, Ventura D, Martinez T. Manifold Learning by Graduated Optimization. Ieee Transactions On Systems, Man, and Cybernetics. Part B, Cybernetics : a Publication of the Ieee Systems, Man, and Cybernetics Society. PMID 21622074 DOI: 10.1109/TSMCB.2011.2151187  0.028
2014 Gonzalez-Campoy JM, Richardson B, Richardson C, Gonzalez-Cameron D, Ebrahim A, Strobel P, Martinez T, Blaha B, Ransom M, Quinonez-Weislow J, Pierson A, Gonzalez Ahumada M. Bariatric endocrinology: principles of medical practice. International Journal of Endocrinology. 2014: 917813. PMID 24899894 DOI: 10.1155/2014/917813  0.028
2015 Martínez T, Suárez-Álvarez J, Yanguas J, Muñiz J. Spanish validation of the Person-centered Care Assessment Tool (P-CAT). Aging & Mental Health. 1-9. PMID 25811968 DOI: 10.1080/13607863.2015.1023768  0.028
2014 Friedrichsen S, Martinez TS, Hostetler J, Tang JM. Innovations in interprofessional education: building collaborative practice skills. Journal of the California Dental Association. 42: 627-35. PMID 25265729  0.027
2013 Paez-Colasante X, Seaberg B, Martinez TL, Kong L, Sumner CJ, Rimer M. Improvement of neuromuscular synaptic phenotypes without enhanced survival and motor function in severe spinal muscular atrophy mice selectively rescued in motor neurons. Plos One. 8: e75866. PMID 24086650 DOI: 10.1371/journal.pone.0075866  0.026
2012 Rondan A, Nijhawan S, Majid S, Martinez T, Wittgrove AC. Low anastomotic stricture rate after Roux-en-Y gastric bypass using a 21-mm circular stapling device. Obesity Surgery. 22: 1491-5. PMID 22714823 DOI: 10.1007/s11695-012-0671-7  0.026
2012 Martinez TA. SVEPM 2011 - current advances in understanding the spread and control of animal diseases. Preventive Veterinary Medicine. 106: 85-6. PMID 22342320 DOI: 10.1016/j.prevetmed.2012.01.014  0.025
2012 Nijhawan S, Martinez T, Wittgrove AC. Laparoscopic gastric bypass for the adolescent patient: long-term results. Obesity Surgery. 22: 1445-9. PMID 22638680 DOI: 10.1007/s11695-012-0670-8  0.024
2015 Gélvez IM, Pérez EP, Martinez TIC. Genetic variation in domestic pig Sus scrofa domestica populations in Cordoba-Colombia based on microsatellite markers | Variación genética en cerdo doméstico (Sus scrofa domestica) de Córdoba-Colombia basada en marcadores microsatélites Revista Mexicana De Ciencias Pecuarias. 6: 443-452.  0.023
2013 McFarland BK, Farrell JP, Berrah N, Bostedt C, Bozek J, Bucksbaum PH, Coffee R, Cryan J, Fang L, Feifel R, Gaffney K, Glownia J, Martinez T, Mucke M, Murphy B, et al. Probing nucleobase photoprotection with soft x-rays Epj Web of Conferences. 41. DOI: 10.1051/epjconf/20134107004  0.023
2015 Martínez T, Ropelewski AJ, González-Mendez R, Vázquez GJ, Robledo IE. Draft Genome Sequence of Klebsiella pneumoniae Carbapenemase-Producing Acinetobacter baumannii Strain M3AC9-7, Isolated from Puerto Rico. Genome Announcements. 3. PMID 25858845 DOI: 10.1128/genomeA.00274-15  0.022
2012 Martinez TL, Kong L, Wang X, Osborne MA, Crowder ME, Van Meerbeke JP, Xu X, Davis C, Wooley J, Goldhamer DJ, Lutz CM, Rich MM, Sumner CJ. Survival motor neuron protein in motor neurons determines synaptic integrity in spinal muscular atrophy. The Journal of Neuroscience : the Official Journal of the Society For Neuroscience. 32: 8703-15. PMID 22723710 DOI: 10.1523/Jneurosci.0204-12.2012  0.022
2013 Martinez TA. The cutting-edge of animal disease control in a global environment. Preface. Preventive Veterinary Medicine. 108: 239-40. PMID 23419784 DOI: 10.1016/j.prevetmed.2013.01.002  0.021
2012 Martinez T, Leiva L. Formulation of (18)F-FDG: pH adjustment of buffered solution. Journal of Nuclear Medicine Technology. 40: 48-9. PMID 22279238 DOI: 10.2967/jnmt.111.092825  0.021
2013 Martin M, Najera N, Garibay N, Malanco LM, Martinez T, Rivera J, Rivera M, Queipo G. New genetic abnormalities in non-21α-hydroxylase-deficiency congenital adrenal hyperplasia. Sexual Development : Genetics, Molecular Biology, Evolution, Endocrinology, Embryology, and Pathology of Sex Determination and Differentiation. 7: 289-94. PMID 24334966 DOI: 10.1159/000356948  0.018
2014 Yamamura M, Martinez TR, Popolin MP, Rodrigues LB, de Freitas IM, Arcêncio RA. [The families and directly observed treatment of tuberculosis: senses and prospects to the production of care]. Revista GaúCha De Enfermagem / Eenfufrgs. 35: 60-6. PMID 25158462  0.016
2012 Arija V, Martín N, Canela T, Anguera C, Castelao AI, García-Barco M, García-Campo A, González-Bravo AI, Lucena C, Martínez T, Fernández-Barrés S, Pedret R, Badia W, Basora J. Nutrition education intervention for dependent patients: protocol of a randomized controlled trial. Bmc Public Health. 12: 373. PMID 22625878 DOI: 10.1186/1471-2458-12-373  0.015
2014 Trujillo E, Martínez T, Bravo MM. [Genotyping of Helicobacter pylori virulence factors vacA and cagA in individuals from two regions in Colombia with opposing risk for gastric cancer]. BioméDica : Revista Del Instituto Nacional De Salud. 34: 567-73. PMID 25504245 DOI: 10.1590/S0120-41572014000400009  0.014
2015 Balthazard P, Maillard M, Martinez T. Relevance of clinical assessment parameters for the diagnosis of cervicogenic headache | Pertinence de paramètres d'évaluation clinique pour le diagnostic de céphalée cervicogène Kinesitherapie. 15: 15-23. DOI: 10.1016/j.kine.2015.02.012  0.013
2012 Llor C, Hernández M, Hernández S, Martínez T, Gómez FF. Validity of a point-of-care based on heterophile antibody detection for the diagnosis of infectious mononucleosis in primary care. The European Journal of General Practice. 18: 15-21. PMID 22248336 DOI: 10.3109/13814788.2011.618833  0.012
2015 Smith MR, Martinez T. Using Classifier diversity to handle label noise Proceedings of the International Joint Conference On Neural Networks. 2015. DOI: 10.1109/IJCNN.2015.7280316  0.012
2012 Martínez T, Vázquez GJ, Aquino EE, Ramírez-Ronda R, Robledo IE. First report of a Pseudomonas aeruginosa clinical isolate co-harbouring KPC-2 and IMP-18 carbapenemases. International Journal of Antimicrobial Agents. 39: 542-3. PMID 22521765 DOI: 10.1016/j.ijantimicag.2012.02.009  0.011
2015 Smith MR, Gashler MS, Martinez T. A hybrid latent variable neural network model for item recommendation Proceedings of the International Joint Conference On Neural Networks. 2015. DOI: 10.1109/IJCNN.2015.7280324  0.011
2016 Agramunt J, Tain JL, Gómez-Hornillos MB, Garcia AR, Albiol F, Algora A, Caballero-Folch R, Calviño F, Cano-Ott D, Cortés G, Domingo-Pardo C, Eronen T, Gelletly W, Gorelov D, Gorlychev V, ... ... Martinez T, et al. Characterization of a neutron-beta counting system with beta-delayed neutron emitters Nuclear Instruments and Methods in Physics Research, Section a: Accelerators, Spectrometers, Detectors and Associated Equipment. 807: 69-78. DOI: 10.1016/j.nima.2015.10.082  0.01
2015 Martinez T, Pasquier P, Swiech A, Kearns K, Dubost C, Mérat S. Lung Ultrasound  for Chest Tube Insertion. The American Journal of Emergency Medicine. 33: 1095-6. PMID 25963677 DOI: 10.1016/j.ajem.2015.04.022  0.01
2015 Colón-López V, Quiñones V, Del Toro-Mejías LM, Conde-Toro A, Serra-Rivera MJ, Martínez TM, Rodríguez V, Berdiel L, Villanueva H. HPV Awareness and Vaccine Willingness Among Dominican Immigrant Parents Attending a Federal Qualified Health Clinic in Puerto Rico. Journal of Immigrant and Minority Health / Center For Minority Public Health. 17: 1086-90. PMID 25023490 DOI: 10.1007/s10903-014-0067-y  0.01
2014 Hoffmann C, Falzone E, Martinez T, Boutonnet M, Peigne V, Lenoir B. [Injectable hemostatic sponges XStat™: revolution or gadget?]. Annales FrançAises D'AnesthèSie Et De RèAnimation. 33: 605-6. PMID 25450736 DOI: 10.1016/j.annfar.2014.07.747  0.01
2014 Rubio E, Comín M, Montón G, Martínez T, Magallón R. [Health and social services used by the rural elderly]. Revista EspañOla De Geriatría Y GerontologíA. 49: 217-22. PMID 25005158 DOI: 10.1016/j.regg.2014.03.005  0.01
2013 Xavier HT, Izar MC, Faria Neto JR, Assad MH, Rocha VZ, Sposito AC, Fonseca FA, dos Santos JE, Santos RD, Bertolami MC, Faludi AA, Martinez TL, Diament J, Guimarães A, et al. [V Brazilian Guidelines on Dyslipidemias and Prevention of Atherosclerosis]. Arquivos Brasileiros De Cardiologia. 101: 1-20. PMID 24217493 DOI: 10.5935/abc.2013S010  0.01
2012 Santos RD, Gagliardi AC, Xavier HT, Casella Filho A, Araújo DB, Cesena FY, Alves RJ, Pereira AC, Lottemberg AM, Chacra AP, Faludi AA, Sposito AC, Ribeiro Filho FF, Helfenstein Fonseca FA, ... ... Martinez TL, et al. [First Brazilian Guidelines for Familial Hypercholesterolemia]. Arquivos Brasileiros De Cardiologia. 99: 1-28. PMID 23532256 DOI: 10.5935/abc.20120202  0.01
2012 Outeiriño-Blanco E, Garcia-Buela J, Sangiao-Alvarellos S, Brandón I, Pena L, Pertega-Diaz S, Martinez T, Cordido F. Sexual dimorphism on growth hormone secretion after oral glucose administration. Hormone and Metabolic Research = Hormon- Und Stoffwechselforschung = Hormones Et MéTabolisme. 44: 533-8. PMID 22344623 DOI: 10.1055/s-0032-1304578  0.01
2011 Martinez TA, Pfeiffer DU, More SJ. SVEPM 2010--the role of veterinary epidemiology in animal health in the world today. Preventive Veterinary Medicine. 100: 89. PMID 21546106 DOI: 10.1016/j.prevetmed.2011.03.009  0.01
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