Year |
Citation |
Score |
2022 |
Allen C, Bureau HR, McGee TD, Quirk S, Hernandez R. Benchmarking Adaptive Steered Molecular Dynamics (ASMD) on CHARMM Force Fields. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 35594194 DOI: 10.1002/cphc.202200175 |
0.581 |
|
2021 |
Zhuang Y, Bureau HR, Lopez C, Bucher R, Quirk S, Hernandez R. Energetics and structure of alanine-rich α-helices via Adaptive Steered Molecular Dynamics (ASMD). Biophysical Journal. PMID 33775636 DOI: 10.1016/j.bpj.2021.03.017 |
0.587 |
|
2021 |
Reiff J, Feldmaier M, Main J, Hernandez R. Dynamics and decay rates of a time-dependent two-saddle system. Physical Review. E. 103: 022121. PMID 33736042 DOI: 10.1103/PhysRevE.103.022121 |
0.349 |
|
2020 |
Bureau HR, Quirk S, Hernandez R. The relative stability of trpzip1 and its mutants determined by computation and experiment. Rsc Advances. 10: 6520-6535. PMID 35495997 DOI: 10.1039/d0ra00920b |
0.566 |
|
2020 |
Feldmaier M, Reiff J, Benito RM, Borondo F, Main J, Hernandez R. Influence of external driving on decays in the geometry of the LiCN isomerization. The Journal of Chemical Physics. 153: 084115. PMID 32872891 DOI: 10.1063/5.0015509 |
0.449 |
|
2020 |
Nagahata Y, Borondo F, Benito RM, Hernandez R. Identifying reaction pathways in phase space via asymptotic trajectories. Physical Chemistry Chemical Physics : Pccp. PMID 32342955 DOI: 10.1039/C9Cp06610A |
0.346 |
|
2020 |
Tschöpe M, Feldmaier M, Main J, Hernandez R. Neural network approach for the dynamics on the normally hyperbolic invariant manifold of periodically driven systems. Physical Review. E. 101: 022219. PMID 32168686 DOI: 10.1103/Physreve.101.022219 |
0.434 |
|
2020 |
Zhuang Y, Bureau HR, Quirk S, Hernandez R. Adaptive steered molecular dynamics of biomolecules Molecular Simulation. 1-12. DOI: 10.1080/08927022.2020.1807542 |
0.319 |
|
2020 |
Bureau HR, Quirk S, Hernandez R. The relative stability of trpzip1 and its mutants determined by computation and experiment Rsc Advances. 10: 6520-6535. DOI: 10.1039/D0Ra00920B |
0.575 |
|
2020 |
Popov AV, Hernandez R. Solvation Dynamics in the Cybotactic Region of Gas-Expanded Liquids: A decade later Industrial & Engineering Chemistry Research. 59: 1646-1655. DOI: 10.1021/Acs.Iecr.9B03682 |
0.321 |
|
2020 |
Mahala BD, Hernandez R. Solvent softness effects on unimolecular chemical reaction rate constants Chemical Physics Letters. 744: 137182. DOI: 10.1016/J.Cplett.2020.137182 |
0.408 |
|
2019 |
Feldmaier M, Bardakcioglu R, Reiff J, Main J, Hernandez R. Phase-space resolved rates in driven multidimensional chemical reactions. The Journal of Chemical Physics. 151: 244108. PMID 31893901 DOI: 10.1063/1.5127539 |
0.41 |
|
2019 |
Feldmaier M, Schraft P, Bardakcioglu R, Reiff J, Lober M, Tschöpe M, Junginger A, Main J, Bartsch T, Hernandez R. Invariant Manifolds and Rate Constants in Driven Chemical Reactions. The Journal of Physical Chemistry. B. PMID 30730733 DOI: 10.1021/Acs.Jpcb.8B10541 |
0.382 |
|
2018 |
Schraft P, Junginger A, Feldmaier M, Bardakcioglu R, Main J, Wunner G, Hernandez R. Neural network approach to time-dependent dividing surfaces in classical reaction dynamics. Physical Review. E. 97: 042309. PMID 29758767 DOI: 10.1103/Physreve.97.042309 |
0.408 |
|
2018 |
Quirk S, Hopkins MM, Bureau H, Lusk RJ, Allen C, Hernandez R, Bain DL. Mutational Analysis of Neuropeptide Y Reveals Unusual Thermal Stability Linked to Higher-Order Self-Association. Acs Omega. 3: 2141-2154. PMID 29619413 DOI: 10.1021/acsomega.7b01949 |
0.567 |
|
2018 |
Bardakcioglu R, Junginger A, Feldmaier M, Main J, Hernandez R. Binary contraction method for the construction of time-dependent dividing surfaces in driven chemical reactions Physical Review E. 98. DOI: 10.1103/Physreve.98.032204 |
0.328 |
|
2018 |
Chong G, Laudadio ED, Wu M, Murphy CJ, Hamers RJ, Hernandez R. Density, Structure, and Stability of Citrate3– and H2citrate– on Bare and Coated Gold Nanoparticles The Journal of Physical Chemistry C. 122: 28393-28404. DOI: 10.1021/Acs.Jpcc.8B09666 |
0.303 |
|
2018 |
Singh RS, Hernandez R. Modeling soft core-shell colloids using stochastic hard collision dynamics Chemical Physics Letters. 708: 233-240. DOI: 10.1016/J.Cplett.2018.08.032 |
0.567 |
|
2017 |
Craven GT, Junginger A, Hernandez R. Lagrangian descriptors of driven chemical reaction manifolds. Physical Review. E. 96: 022222. PMID 28950601 DOI: 10.1103/Physreve.96.022222 |
0.76 |
|
2017 |
Revuelta F, Craven GT, Bartsch T, Borondo F, Benito RM, Hernandez R. Transition state theory for activated systems with driven anharmonic barriers. The Journal of Chemical Physics. 147: 074104. PMID 28830175 DOI: 10.1063/1.4997571 |
0.765 |
|
2017 |
Junginger A, Duvenbeck L, Feldmaier M, Main J, Wunner G, Hernandez R. Chemical dynamics between wells across a time-dependent barrier: Self-similarity in the Lagrangian descriptor and reactive basins. The Journal of Chemical Physics. 147: 064101. PMID 28810775 DOI: 10.1063/1.4997379 |
0.464 |
|
2017 |
Junginger A, Main J, Wunner G, Hernandez R. Variational principle for the determination of unstable periodic orbits and instanton trajectories at saddle points Physical Review A. 95. DOI: 10.1103/Physreva.95.032130 |
0.374 |
|
2017 |
Feldmaier M, Junginger A, Main J, Wunner G, Hernandez R. Obtaining time-dependent multi-dimensional dividing surfaces using Lagrangian descriptors Chemical Physics Letters. 687: 194-199. DOI: 10.1016/J.Cplett.2017.09.008 |
0.422 |
|
2016 |
Revuelta F, Bartsch T, Garcia-Muller PL, Hernandez R, Benito RM, Borondo F. Transition state theory for solvated reactions beyond recrossing-free dividing surfaces. Physical Review. E. 93: 062304. PMID 27415277 DOI: 10.1103/Physreve.93.062304 |
0.425 |
|
2016 |
Cui Q, Hernandez R, Mason SE, Frauenheim T, Pedersen JA, Geiger FM. Sustainable Nanotechnology: Opportunities and Challenges for Theoretical/Computational Studies. The Journal of Physical Chemistry. B. PMID 27388532 DOI: 10.1021/Acs.Jpcb.6B03976 |
0.319 |
|
2016 |
Ulusoy IS, Andrienko DA, Boyd ID, Hernandez R. Quantum and quasi-classical collisional dynamics of O2-Ar at high temperatures. The Journal of Chemical Physics. 144: 234311. PMID 27334166 DOI: 10.1063/1.4954041 |
0.372 |
|
2016 |
Junginger A, Hernandez R. Lagrangian descriptors in dissipative systems. Physical Chemistry Chemical Physics : Pccp. PMID 27327139 DOI: 10.1039/C6Cp02532C |
0.443 |
|
2016 |
Junginger A, Craven GT, Bartsch T, Revuelta F, Borondo F, Benito RM, Hernandez R. Transition state geometry of driven chemical reactions on time-dependent double-well potentials. Physical Chemistry Chemical Physics : Pccp. PMID 27302860 DOI: 10.1039/C6Cp02519F |
0.768 |
|
2016 |
Bureau HR, Hershkovits E, Quirk S, Hernandez R. Determining the Energetics of Small β-Sheet Peptides Using Adaptive Steered Molecular Dynamics. Journal of Chemical Theory and Computation. PMID 26930270 DOI: 10.1021/Acs.Jctc.5B01110 |
0.621 |
|
2016 |
Craven GT, Hernandez R. Deconstructing field-induced ketene isomerization through Lagrangian descriptors. Physical Chemistry Chemical Physics : Pccp. PMID 26778728 DOI: 10.1039/C5Cp06624G |
0.756 |
|
2016 |
Junginger A, Garcia-Muller PL, Borondo F, Benito RM, Hernandez R. Solvated molecular dynamics of LiCN isomerization: All-atom argon solvent versus a generalized Langevin bath. The Journal of Chemical Physics. 144: 024104. PMID 26772551 DOI: 10.1063/1.4939480 |
0.419 |
|
2015 |
Murphy CJ, Vartanian AM, Geiger FM, Hamers RJ, Pedersen J, Cui Q, Haynes CL, Carlson EE, Hernandez R, Klaper RD, Orr G, Rosenzweig Z. Biological Responses to Engineered Nanomaterials: Needs for the Next Decade. Acs Central Science. 1: 117-23. PMID 27162961 DOI: 10.1021/Acscentsci.5B00182 |
0.301 |
|
2015 |
Popov AV, Craven GT, Hernandez R. Nonequilibrium structure in sequential assembly. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 92: 052108. PMID 26651648 DOI: 10.1103/Physreve.92.052108 |
0.727 |
|
2015 |
Craven GT, Hernandez R. Lagrangian Descriptors of Thermalized Transition States on Time-Varying Energy Surfaces. Physical Review Letters. 115: 148301. PMID 26551825 DOI: 10.1103/Physrevlett.115.148301 |
0.769 |
|
2015 |
Junginger A, Hernandez R. Uncovering the Geometry of Barrierless Reactions Using Lagrangian Descriptors. The Journal of Physical Chemistry. B. PMID 26524392 DOI: 10.1021/Acs.Jpcb.5B09003 |
0.44 |
|
2015 |
Bureau HR, Merz DR, Hershkovits E, Quirk S, Hernandez R. Constrained Unfolding of a Helical Peptide: Implicit versus Explicit Solvents. Plos One. 10: e0127034. PMID 25970521 DOI: 10.1371/Journal.Pone.0127034 |
0.632 |
|
2015 |
Craven GT, Popov AV, Hernandez R. Stochastic dynamics of penetrable rods in one dimension: Entangled dynamics and transport properties. The Journal of Chemical Physics. 142: 154906. PMID 25903909 DOI: 10.1063/1.4918370 |
0.747 |
|
2015 |
Craven GT, Bartsch T, Hernandez R. Chemical reactions induced by oscillating external fields in weak thermal environments. The Journal of Chemical Physics. 142: 074108. PMID 25702003 DOI: 10.1063/1.4907590 |
0.76 |
|
2014 |
Hagy MC, Hernandez R. Dynamical simulation of electrostatic striped colloidal particles. The Journal of Chemical Physics. 140: 034701. PMID 25669401 DOI: 10.1063/1.4859855 |
0.355 |
|
2014 |
Garcia-Muller PL, Hernandez R, Benito RM, Borondo F. The role of the CN vibration in the activated dynamics of LiNC<−>LiCN isomerization in an argon solvent at high temperatures. The Journal of Chemical Physics. 141: 074312. PMID 25149791 DOI: 10.1063/1.4892921 |
0.325 |
|
2014 |
Ozer G, Keyes T, Quirk S, Hernandez R. Multiple branched adaptive steered molecular dynamics. The Journal of Chemical Physics. 141: 064101. PMID 25134545 DOI: 10.1063/1.4891807 |
0.392 |
|
2014 |
Craven GT, Bartsch T, Hernandez R. Communication: Transition state trajectory stability determines barrier crossing rates in chemical reactions induced by time-dependent oscillating fields. The Journal of Chemical Physics. 141: 041106. PMID 25084872 DOI: 10.1063/1.4891471 |
0.761 |
|
2014 |
Craven GT, Popov AV, Hernandez R. Effective surface coverage of coarse-grained soft matter. The Journal of Physical Chemistry. B. 118: 14092-102. PMID 25059882 DOI: 10.1021/Jp505207H |
0.721 |
|
2014 |
Craven GT, Popov AV, Hernandez R. Structure of a tractable stochastic mimic of soft particles. Soft Matter. 10: 5350-61. PMID 24935651 DOI: 10.1039/C4Sm00751D |
0.718 |
|
2014 |
Craven GT, Bartsch T, Hernandez R. Persistence of transition-state structure in chemical reactions driven by fields oscillating in time. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 89: 040801. PMID 24827174 DOI: 10.1103/Physreve.89.040801 |
0.761 |
|
2014 |
Ulusoy IS, Hernandez R. Revisiting roaming trajectories in ketene isomerization at higher dimensionality Theoretical Chemistry Accounts. 133: 1-9. DOI: 10.1007/S00214-014-1528-Z |
0.413 |
|
2014 |
Hernandez R, Popov AV. Molecular dynamics out of equilibrium: mechanics and measurables Wiley Interdisciplinary Reviews: Computational Molecular Science. 4: 541-561. DOI: 10.1002/Wcms.1190 |
0.369 |
|
2013 |
Popov AV, Hernandez R. Temperature-driven irreversible generalized Langevin equation can capture the nonequilibrium dynamics of two dissipated coupled oscillators. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 88: 032145. PMID 24125251 DOI: 10.1103/Physreve.88.032145 |
0.333 |
|
2013 |
Craven GT, Popov AV, Hernandez R. Stochastic dynamics of penetrable rods in one dimension: occupied volume and spatial order. The Journal of Chemical Physics. 138: 244901. PMID 23822268 DOI: 10.1063/1.4810807 |
0.724 |
|
2013 |
Ulusoy IS, Stanton JF, Hernandez R. Effects of roaming trajectories on the transition state theory rates of a reduced-dimensional model of ketene isomerization. The Journal of Physical Chemistry. A. 117: 7553-60. PMID 23773152 DOI: 10.1021/Jp402322H |
0.454 |
|
2013 |
Hagy MC, Hernandez R. Dynamical simulation of dipolar Janus colloids: dynamical properties. The Journal of Chemical Physics. 138: 184903. PMID 23676070 DOI: 10.1063/1.4803864 |
0.362 |
|
2013 |
Ulusoy IS, Stanton JF, Hernandez R. Correction to “Effects of Roaming Trajectories on the Transition State Theory Rates of a Reduced-Dimensional Model of Ketene Isomerization” The Journal of Physical Chemistry A. 117: 10567-10568. DOI: 10.1021/Jp408997Z |
0.394 |
|
2012 |
Ozer G, Quirk S, Hernandez R. Thermodynamics of Decaalanine Stretching in Water Obtained by Adaptive Steered Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. 8: 4837-4844. PMID 26605636 DOI: 10.1021/Ct300709U |
0.326 |
|
2012 |
García Müller PL, Hernandez R, Benito RM, Borondo F. Detailed study of the direct numerical observation of the Kramers turnover in the LiNC⇌LiCN isomerization rate. The Journal of Chemical Physics. 137: 204301. PMID 23205997 DOI: 10.1063/1.4766257 |
0.387 |
|
2012 |
Hagy MC, Hernandez R. Dynamical simulation of dipolar Janus colloids: equilibrium structure and thermodynamics. The Journal of Chemical Physics. 137: 044505. PMID 22852629 DOI: 10.1063/1.4737432 |
0.378 |
|
2012 |
Ozer G, Quirk S, Hernandez R. Adaptive steered molecular dynamics: validation of the selection criterion and benchmarking energetics in vacuum. The Journal of Chemical Physics. 136: 215104. PMID 22697572 DOI: 10.1063/1.4725183 |
0.368 |
|
2011 |
Popov AV, Gould EA, Salvitti MA, Hernandez R, Solntsev KM. Diffusional effects on the reversible excited-state proton transfer. From experiments to Brownian dynamics simulations. Physical Chemistry Chemical Physics : Pccp. 13: 14914-27. PMID 21761033 DOI: 10.1039/C1Cp20952C |
0.369 |
|
2011 |
Popov AV, Viehman DC, Hernandez R. Nonequilibrium heat flows through a nanorod sliding across a surface. The Journal of Chemical Physics. 134: 104703. PMID 21405180 DOI: 10.1063/1.3561296 |
0.328 |
|
2011 |
Ozer G, Quirk S, Hernandez R. Adaptive Steered Molecular Dynamics: Unfolding of Neuropeptide Y and Decaalanine Stretching Biophysical Journal. 100: 524a. DOI: 10.1016/J.Bpj.2010.12.3063 |
0.326 |
|
2010 |
Ozer G, Valeev EF, Quirk S, Hernandez R. Adaptive Steered Molecular Dynamics of the Long-Distance Unfolding of Neuropeptide Y. Journal of Chemical Theory and Computation. 6: 3026-38. PMID 26616767 DOI: 10.1021/Ct100320G |
0.352 |
|
2010 |
Tucker AK, Hernandez R. Observation of a trapping transition in the diffusion of a thick needle through fixed point scatterers. The Journal of Physical Chemistry. A. 114: 9628-34. PMID 20402488 DOI: 10.1021/Jp100111Y |
0.304 |
|
2010 |
Hernandez R, Uzer T, Bartsch T. Transition state theory in liquids beyond planar dividing surfaces Chemical Physics. 370: 270-276. DOI: 10.1016/J.Chemphys.2010.01.016 |
0.441 |
|
2010 |
Saalfrank P, Klamroth T, Vazhappilly T, Hernandez R. Theory of Femtochemistry at Metal Surfaces: Associative Molecular Photodesorption as a Case Study Dynamics At Solid State Surfaces and Interfaces. 1: 383-407. DOI: 10.1002/9783527633418.ch17 |
0.473 |
|
2009 |
Gohres JL, Popov AV, Hernandez R, Liotta CL, Eckert CA. Molecular Dynamics Simulations of Solvation and Solvent Reorganization Dynamics in CO2-Expanded Methanol and Acetone. Journal of Chemical Theory and Computation. 5: 267-275. PMID 26610103 DOI: 10.1021/Ct800353S |
0.339 |
|
2009 |
Popov AV, Hernandez R. Diffusion in a nonequilibrium binary mixture of hard spheres swelling at different rates. The Journal of Chemical Physics. 131: 024503. PMID 19604000 DOI: 10.1063/1.3168405 |
0.359 |
|
2009 |
Vazhappilly T, Klamroth T, Saalfrank P, Hernandez R. Femtosecond-laser desorption of h 2 (d 2) from ru(0001): quantum and classical approaches Journal of Physical Chemistry C. 113: 7790-7801. DOI: 10.1021/Jp810709K |
0.588 |
|
2008 |
García-Müller PL, Borondo F, Hernandez R, Benito RM. Solvent-induced acceleration of the rate of activation of a molecular reaction. Physical Review Letters. 101: 178302. PMID 18999793 DOI: 10.1103/Physrevlett.101.178302 |
0.377 |
|
2008 |
Gohres JL, Shukla CL, Popov AV, Hernandez R, Liotta CL, Eckert CA. Effects of solute structure on local solvation and solvent interactions: results from UV/vis spectroscopy and molecular dynamics simulations. The Journal of Physical Chemistry. B. 112: 14993-8. PMID 18975884 DOI: 10.1021/Jp806135S |
0.316 |
|
2008 |
Gohres JL, Kitchens CL, Hallett JP, Popov AV, Hernandez R, Liotta CL, Eckert CA. A spectroscopic and computational exploration of the cybotactic region of gas-expanded liquids: methanol and acetone Journal of Physical Chemistry B. 112: 4666-4673. PMID 18358022 DOI: 10.1021/Jp077552P |
0.343 |
|
2008 |
Bartsch T, Uzer T, Moix JM, Hernandez R. Transition-state theory rate calculations with a recrossing-free moving dividing surface. The Journal of Physical Chemistry. B. 112: 206-12. PMID 17935321 DOI: 10.1021/Jp0755600 |
0.4 |
|
2008 |
Moix JM, Hernandez R, Pollak E. Momentum and velocity autocorrelation functions of a diatomic molecule are not necessarily proportional to each other. The Journal of Physical Chemistry. B. 112: 213-8. PMID 17824637 DOI: 10.1021/Jp0730951 |
0.504 |
|
2008 |
Qin Y, Popov AV, Hernandez R. Chapter 10 Stochastic Models for Polymerization Reactions Under Nonequilibrium Conditions Annual Reports in Computational Chemistry. 4: 173-199. DOI: 10.1016/S1574-1400(08)00010-8 |
0.358 |
|
2007 |
Moix JM, Hernandez R. Chapter 8 The Role of Long-Time Correlation in Dissipative Adsorbate Dynamics on Metal Surfaces Annual Reports in Computational Chemistry. 3: 137-151. DOI: 10.1016/S1574-1400(07)03008-3 |
0.357 |
|
2006 |
Shukla CL, Hallett JP, Popov AV, Hernandez R, Liotta CL, Eckert CA. Molecular dynamics simulation of the cybotactic region in gas-expanded methanol-carbon dioxide and acetone-carbon dioxide mixtures. The Journal of Physical Chemistry. B. 110: 24101-11. PMID 17125382 DOI: 10.1021/Jp0648947 |
0.31 |
|
2006 |
Bartsch T, Uzer T, Moix JM, Hernandez R. Identifying reactive trajectories using a moving transition state. The Journal of Chemical Physics. 124: 244310. PMID 16821980 DOI: 10.1063/1.2206587 |
0.425 |
|
2006 |
Popov AV, Melvin J, Hernandez R. Dynamics of swelling/contracting hard spheres surmised by an irreversible Langevin equation. The Journal of Physical Chemistry. A. 110: 1635-44. PMID 16435826 DOI: 10.1021/Jp054241A |
0.362 |
|
2005 |
Bartsch T, Uzer T, Hernandez R. Stochastic transition states: reaction geometry amidst noise. The Journal of Chemical Physics. 123: 204102. PMID 16351235 DOI: 10.1063/1.2109827 |
0.446 |
|
2005 |
Vogt M, Hernandez R. An idealized model for nonequilibrium dynamics in molecular systems. The Journal of Chemical Physics. 123: 144109. PMID 16238376 DOI: 10.1063/1.2052594 |
0.394 |
|
2005 |
Bartsch T, Hernandez R, Uzer T. Transition state in a noisy environment. Physical Review Letters. 95: 058301. PMID 16090923 DOI: 10.1103/Physrevlett.95.058301 |
0.431 |
|
2005 |
Moix JM, Hernandez R. Dissipating the Langevin equation in the presence of an external stochastic potential. The Journal of Chemical Physics. 122: 114111. PMID 15836205 DOI: 10.1063/1.1870875 |
0.338 |
|
2005 |
Hershkovits E, Hernandez R. Chemical reaction dynamics within anisotropic solvents in time-dependent fields. The Journal of Chemical Physics. 122: 14509. PMID 15638676 DOI: 10.1063/1.1829252 |
0.408 |
|
2004 |
Locker CR, Hernandez R. Folding behavior of model proteins with weak energetic frustration. The Journal of Chemical Physics. 120: 11292-303. PMID 15268157 DOI: 10.1063/1.1751394 |
0.329 |
|
2004 |
Moix JM, Shepherd TD, Hernandez R. A phenomenological model for surface diffusion: Diffusive dynamics across incoherent stochastic aperiodic potentials Journal of Physical Chemistry B. 108: 19476-19482. DOI: 10.1021/Jp046629W |
0.381 |
|
2002 |
Shepherd TD, Hernandez R. An optimized mean first passage time approach for obtaining rates in activated processes Journal of Chemical Physics. 117: 9227-9233. DOI: 10.1063/1.1516590 |
0.35 |
|
2002 |
Shepherd TD, Hernandez R. Activated dynamics across aperiodic stochastic potentials Journal of Physical Chemistry B. 106: 8176-8181. DOI: 10.1021/Jp020620H |
0.397 |
|
2001 |
Locker CR, Hernandez R. A minimalist model protein with multiple folding funnels Proceedings of the National Academy of Sciences of the United States of America. 98: 9074-9079. PMID 11470921 DOI: 10.1073/Pnas.161438898 |
0.325 |
|
2001 |
Shepherd TD, Hernandez R. Chemical reaction dynamics with stochastic potentials below the high-friction limit Journal of Chemical Physics. 115: 2430-2438. DOI: 10.1063/1.1386422 |
0.427 |
|
2001 |
Hershkovitz E, Hernandez R. Fast numerical integrator for stochastic differential equations with nonstationary multiplicative noise Journal of Physical Chemistry A. 105: 2687-2693. DOI: 10.1021/Jp0037044 |
0.331 |
|
2000 |
Somer FL, Hernandez R. Stochastic dynamics in irreversible nonequilibrium environments. 4. Self-consistent coupling in heterogeneous environments Journal of Physical Chemistry B. 104: 3456-3462. DOI: 10.1021/Jp9928762 |
0.358 |
|
1999 |
Somer FL, Hernandez R. Stochastic dynamics in irreversible nonequilibrium environments. 3. Temperature-ramped chemical kinetics Journal of Physical Chemistry A. 103: 11004-11010. DOI: 10.1021/Jp9915836 |
0.36 |
|
1999 |
Hernandez R, Somer FL. Stochastic dynamics in irreversible nonequilibrium environments. 2. A model for thermosetting polymerization Journal of Physical Chemistry B. 103: 1070-1077. DOI: 10.1021/Jp9836269 |
0.333 |
|
1999 |
Hernandez R, Somer FL. Stochastic dynamics in irreversible nonequilibrium environments. 1. The fluctuation-dissipation relation Journal of Physical Chemistry B. 103: 1064-1069. DOI: 10.1021/Jp983625G |
0.401 |
|
1998 |
Hernandez R, Voth GA. Quantum time correlation functions and classical coherence Chemical Physics. 233: 243-255. DOI: 10.1016/S0301-0104(98)00027-5 |
0.564 |
|
1995 |
Hernandez R, Cao J, Voth GA. On the Feynman path centroid density as a phase space distribution in quantum statistical mechanics The Journal of Chemical Physics. 103: 5018-5026. DOI: 10.1063/1.470588 |
0.679 |
|
1994 |
Hernandez R. A combined use of perturbation theory and diagonalization: Application to bound energy levels and semiclassical rate theory The Journal of Chemical Physics. 101: 9534-9547. DOI: 10.1063/1.467985 |
0.34 |
|
1993 |
Hernandez R, Miller WH, Moore CB, Polik WF. A random matrix/transition state theory for the probability distribution of state‐specific unimolecular decay rates: Generalization to include total angular momentum conservation and other dynamical symmetries The Journal of Chemical Physics. 99: 950-962. DOI: 10.1063/1.465360 |
0.628 |
|
1993 |
Hernandez R, Miller WH. Semiclassical transition state theory. A new perspective Chemical Physics Letters. 214: 129-136. DOI: 10.1016/0009-2614(93)90071-8 |
0.615 |
|
1992 |
Cohen MJ, Handy NC, Hernandez R, Miller WH. Cumulative reaction probabilities for H+H2→H2+H from a knowledge of the anharmonic force field Chemical Physics Letters. 192: 407-416. DOI: 10.1016/0009-2614(92)85491-R |
0.598 |
|
1990 |
Miller WH, Hernandez R, Moore CB, Polik WF. A transition state theory‐based statistical distribution of unimolecular decay rates with application to unimolecular decomposition of formaldehyde The Journal of Chemical Physics. 93: 5657-5666. DOI: 10.1063/1.459636 |
0.604 |
|
1990 |
Miller WH, Hernandez R, Handy NC, Jayatilaka D, Willetts A. Ab initio calculation of anharmonic constants for a transition state, with application to semiclassical transition state tunneling probabilities Chemical Physics Letters. 172: 62-68. DOI: 10.1016/0009-2614(90)87217-F |
0.629 |
|
1989 |
Coy SL, Hernandez R, Lehmann KK. Limits on the transition to Gaussian orthogonal ensemble behavior: Saturated radiationless transitions between strongly coupled potential surfaces. Physical Review. A. 40: 5935-5949. PMID 9901971 DOI: 10.1103/Physreva.40.5935 |
0.399 |
|
Show low-probability matches. |