| Year |
Citation |
Score |
| 2023 |
Jamshidi Z, Kargar K, Mendive-Tapia D, Vendrell O. Coupling Molecular Systems with Plasmonic Nanocavities: A Quantum Dynamics Approach. The Journal of Physical Chemistry Letters. 14: 11367-11375. PMID 38078674 DOI: 10.1021/acs.jpclett.3c02935 |
0.306 |
|
| 2023 |
Gómez JA, Vendrell O. Vibrational Energy Redistribution and Polaritonic Fermi Resonances in the Strong Coupling Regime. The Journal of Physical Chemistry. A. 127: 1598-1608. PMID 36758162 DOI: 10.1021/acs.jpca.2c08608 |
0.31 |
|
| 2023 |
Mendive-Tapia D, Meyer HD, Vendrell O. Optimal Mode Combination in the Multiconfiguration Time-Dependent Hartree Method through Multivariate Statistics: Factor Analysis and Hierarchical Clustering. Journal of Chemical Theory and Computation. PMID 36716214 DOI: 10.1021/acs.jctc.2c01089 |
0.535 |
|
| 2022 |
Larsson HR, Schröder M, Beckmann R, Brieuc F, Schran C, Marx D, Vendrell O. State-resolved infrared spectrum of the protonated water dimer: revisiting the characteristic proton transfer doublet peak. Chemical Science. 13: 11119-11125. PMID 36320484 DOI: 10.1039/d2sc03189b |
0.411 |
|
| 2022 |
Schröder M, Gatti F, Lauvergnat D, Meyer HD, Vendrell O. The coupling of the hydrated proton to its first solvation shell. Nature Communications. 13: 6170. PMID 36257946 DOI: 10.1038/s41467-022-33650-w |
0.599 |
|
| 2021 |
Lang H, Vendrell O, Hauke P. Generalized discrete truncated Wigner approximation for nonadiabatic quantum-classical dynamics. The Journal of Chemical Physics. 155: 024111. PMID 34266254 DOI: 10.1063/5.0054696 |
0.332 |
|
| 2021 |
Liu YR, Kimberg V, Wu Y, Wang JG, Vendrell O, Zhang SB. Ultraviolet Pump-Probe Photodissociation Spectroscopy of Electron-Rotation Coupling in Diatomics. The Journal of Physical Chemistry Letters. 5534-5539. PMID 34100612 DOI: 10.1021/acs.jpclett.1c01387 |
0.33 |
|
| 2020 |
Sasmal S, Vendrell O. Non-adiabatic quantum dynamics without potential energy surfaces based on second-quantized electrons: Application within the framework of the MCTDH method. The Journal of Chemical Physics. 153: 154110. PMID 33092359 DOI: 10.1063/5.0028116 |
0.328 |
|
| 2020 |
Duan HG, Tiwari V, Jha A, Berdiyorov GR, Akimov A, Vendrell O, Nayak PK, Snaith HJ, Thorwart M, Li Z, Madjet ME, Miller RJD. Photoinduced Vibrations Drive Ultrafast Structural Distortion in Lead Halide Perovskite. Journal of the American Chemical Society. PMID 32869985 DOI: 10.1021/Jacs.0C03970 |
0.412 |
|
| 2020 |
Ulusoy IS, Vendrell O. Dynamics and spectroscopy of molecular ensembles in a lossy microcavity. The Journal of Chemical Physics. 153: 044108. PMID 32752693 DOI: 10.1063/5.0011556 |
0.413 |
|
| 2019 |
Ulusoy IS, Gomez JA, Vendrell O. Modifying the Non-Radiative Decay Dynamics Through Conical Intersections via Collective Coupling to a Cavity Mode. The Journal of Physical Chemistry. A. PMID 31536346 DOI: 10.1021/Acs.Jpca.9B07404 |
0.451 |
|
| 2019 |
Hanna AM, Vendrell O, Santra R. Time-resolved x-ray/optical pump-probe simulations on N molecules. Structural Dynamics (Melville, N.Y.). 6: 024101. PMID 30915387 DOI: 10.1063/1.5053995 |
0.427 |
|
| 2018 |
Vendrell O. Collective Jahn-Teller Interactions through Light-Matter Coupling in a Cavity. Physical Review Letters. 121: 253001. PMID 30608830 DOI: 10.1103/Physrevlett.121.253001 |
0.409 |
|
| 2018 |
Mishra PK, Bettaque V, Vendrell O, Santra R, Welsch R. On the Prospects of Using High-Intensity THz Pulses to Induce Ultrafast Temperature-Jumps in Liquid Water. The Journal of Physical Chemistry. A. PMID 29776312 DOI: 10.1021/Acs.Jpca.8B00828 |
0.394 |
|
| 2018 |
Ochmann M, Hussain A, von Ahnen I, Cordones AA, Hong K, Lee JH, Ma R, Adamczyk K, Kim TK, Schoenlein RW, Vendrell O, Huse N. UV-Photochemistry of the Disulfide Bond: Evolution of Early Photoproducts from Picosecond X-ray Absorption Spectroscopy at the Sulfur K-Edge. Journal of the American Chemical Society. PMID 29771112 DOI: 10.1021/Jacs.7B13455 |
0.329 |
|
| 2018 |
Arnold C, Vendrell O, Welsch R, Santra R. Control of Nuclear Dynamics through Conical Intersections and Electronic Coherences. Physical Review Letters. 120: 123001. PMID 29694080 DOI: 10.1103/Physrevlett.120.123001 |
0.401 |
|
| 2018 |
Bazzi S, Welsch R, Vendrell O, Santra R. Challenges in XUV Photochemistry Simulations: A Case Study on Ultrafast Fragmentation Dynamics of the Benzene Radical Cation. The Journal of Physical Chemistry. A. 122: 1004-1010. PMID 29298485 DOI: 10.1021/Acs.Jpca.7B11543 |
0.443 |
|
| 2018 |
Vendrell O. Coherent dynamics in cavity femtochemistry: Application of the multi-configuration time-dependent Hartree method Chemical Physics. 509: 55-65. DOI: 10.1016/J.Chemphys.2018.02.008 |
0.425 |
|
| 2017 |
Karamatskou A, Santra R, Vendrell O. Ab Initio Investigation of Nonlinear Mode Coupling in C. The Journal of Physical Chemistry Letters. 8: 5543-5547. PMID 29083926 DOI: 10.1021/Acs.Jpclett.7B02573 |
0.356 |
|
| 2017 |
Hussain A, Huse N, Vendrell O. Sensitivity of core-level spectroscopy to electrostatic environments of nitrile groups: An ab initio study. Structural Dynamics (Melville, N.Y.). 4: 054102. PMID 28966931 DOI: 10.1063/1.5003404 |
0.397 |
|
| 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 |
0.376 |
|
| 2017 |
Ochmann M, von Ahnen I, Cordones AA, Hussain A, Lee JH, Hong K, Adamczyk K, Vendrell O, Kim TK, Schoenlein RW, Huse N. Light-induced radical formation and isomerization of an aromatic thiol in solution followed by time-resolved X-ray absorption spectroscopy at the Sulfur K-edge. Journal of the American Chemical Society. PMID 28219243 DOI: 10.1021/Jacs.6B12992 |
0.34 |
|
| 2017 |
Baumann A, Bazzi S, Rompotis D, Schepp O, Azima A, Wieland M, Popova-Gorelova D, Vendrell O, Santra R, Drescher M. Weak-field few-femtosecond VUV photodissociation dynamics of water isotopologues Physical Review A. 96. DOI: 10.1103/Physreva.96.013428 |
0.338 |
|
| 2017 |
Hanna AM, Vendrell O, Ourmazd A, Santra R. Laser control over the ultrafast Coulomb explosion of
N22+
after Auger decay: A quantum-dynamics investigation Physical Review A. 95. DOI: 10.1103/Physreva.95.043419 |
0.329 |
|
| 2017 |
Arnold C, Vendrell O, Santra R. Electronic decoherence following photoionization: Full quantum-dynamical treatment of the influence of nuclear motion Physical Review A. 95. DOI: 10.1103/Physreva.95.033425 |
0.451 |
|
| 2016 |
Wolter B, Pullen MG, Le AT, Baudisch M, Doblhoff-Dier K, Senftleben A, Hemmer M, Schröter CD, Ullrich J, Pfeifer T, Moshammer R, Gräfe S, Vendrell O, Lin CD, Biegert J. Ultrafast electron diffraction imaging of bond breaking in di-ionized acetylene. Science (New York, N.Y.). 354: 308-312. PMID 27846561 DOI: 10.1126/Science.Aah3429 |
0.361 |
|
| 2016 |
Fung R, Hanna AM, Vendrell O, Ramakrishna S, Seideman T, Santra R, Ourmazd A, Ourmazd A. Dynamics from noisy data with extreme timing uncertainty. Nature. 532: 471-5. PMID 27121840 DOI: 10.1038/Nature17627 |
0.34 |
|
| 2016 |
Mishra PK, Vendrell O, Santra R. Subpicosecond energy transfer from a highly intense THz pulse to water: A computational study based on the TIP4P/2005 rigid-water-molecule model. Physical Review. E. 93: 032124. PMID 27078309 DOI: 10.1103/Physreve.93.032124 |
0.413 |
|
| 2016 |
Li Z, Vendrell O. Correlated proton-electron hole dynamics in protonated water clusters upon extreme ultraviolet photoionization. Structural Dynamics (Melville, N.Y.). 3: 043203. PMID 26798842 DOI: 10.1063/1.4939897 |
0.387 |
|
| 2016 |
Mishra PK, Vendrell O, Santra R. Subpicosecond energy transfer from a highly intense THz pulse to water: A computational study based on the TIP4P/2005 rigid-water-molecule model Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 93. DOI: 10.1103/PhysRevE.93.032124 |
0.303 |
|
| 2015 |
Li Z, Vendrell O, Santra R. Ultrafast Charge Transfer of a Valence Double Hole in Glycine Driven Exclusively by Nuclear Motion. Physical Review Letters. 115: 143002. PMID 26551809 DOI: 10.1103/Physrevlett.115.143002 |
0.451 |
|
| 2015 |
Mishra PK, Vendrell O, Santra R. Correction to "Ultrafast Energy Transfer from Solvent to Solute Induced by Subpicosecond Highly Intense THz Pulses". The Journal of Physical Chemistry. B. 119: 9993. PMID 26189463 DOI: 10.1021/Acs.Jpcb.5B06479 |
0.306 |
|
| 2015 |
Mishra PK, Vendrell O, Santra R. Ultrafast Energy Transfer from Solvent to Solute Induced by Subpicosecond Highly Intense THz Pulses. The Journal of Physical Chemistry. B. 119: 8080-6. PMID 26000640 DOI: 10.1021/Acs.Jpcb.5B02860 |
0.363 |
|
| 2015 |
Balzer K, Li Z, Vendrell O, Eckstein M. Multiconfiguration time-dependent Hartree impurity solver for nonequilibrium dynamical mean-field theory Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/Physrevb.91.045136 |
0.335 |
|
| 2014 |
Li Z, El-Amine Madjet M, Vendrell O, Santra R. Core-level transient absorption spectroscopy as a probe of electron hole relaxation in photoionized H+(H2O)n. Faraday Discussions. 171: 457-70. PMID 25415363 DOI: 10.1039/C4Fd00078A |
0.424 |
|
| 2014 |
Vendrell O, Küpper J, Wolf M, Chapman H, Chergui M, Reid K, von Haeften K, Moshammer R, Williams G, Tehlar A, Dixit G, Wörner HJ, Underwood J, Marangos J, Woerner M, et al. Chemical reaction dynamics I and electron dynamics in molecules: general discussion. Faraday Discussions. 171: 145-68. PMID 25285433 DOI: 10.1039/C4Fd90014F |
0.332 |
|
| 2014 |
Timmers H, Li Z, Shivaram N, Santra R, Vendrell O, Sandhu A. Coherent electron hole dynamics near a conical intersection. Physical Review Letters. 113: 113003. PMID 25259975 DOI: 10.1103/Physrevlett.113.113003 |
0.389 |
|
| 2014 |
Timmers H, Bourgeois M, Shivaram N, Sandhu AS, Li Z, Santra R, Vendrell O. Attosecond probing of charge transfer reactions in polyatomic molecules Frontiers in Optics. DOI: 10.1364/Ls.2014.Ltu2H.3 |
0.357 |
|
| 2014 |
Chen Y, Pabst S, Li Z, Vendrell O, Santra R. Dynamics of fluctuations in a quantum system Physical Review A. 89. DOI: 10.1103/Physreva.89.052113 |
0.365 |
|
| 2013 |
Mishra PK, Vendrell O, Santra R. Ultrafast energy transfer to liquid water by sub-picosecond high-intensity terahertz pulses: an ab initio molecular dynamics study. Angewandte Chemie (International Ed. in English). 52: 13685-7. PMID 24155137 DOI: 10.1002/Anie.201305991 |
0.372 |
|
| 2013 |
Cao L, Krönke S, Vendrell O, Schmelcher P. The multi-layer multi-configuration time-dependent Hartree method for bosons: theory, implementation, and applications. The Journal of Chemical Physics. 139: 134103. PMID 24116548 DOI: 10.1063/1.4821350 |
0.375 |
|
| 2013 |
Li Z, Madjet Mel-A, Vendrell O. Non-Born-Oppenheimer dynamics of the photoionized Zundel cation: a quantum wavepacket and surface-hopping study. The Journal of Chemical Physics. 138: 094313. PMID 23485300 DOI: 10.1063/1.4793274 |
0.462 |
|
| 2013 |
Madjet Mel-A, Li Z, Vendrell O. Ultrafast hydrogen migration in acetylene cation driven by non-adiabatic effects. The Journal of Chemical Physics. 138: 094311. PMID 23485298 DOI: 10.1063/1.4793215 |
0.458 |
|
| 2013 |
Li Z, Madjet Mel-A, Vendrell O, Santra R. Correlated dynamics of the motion of proton-hole wave packets in a photoionized water cluster. Physical Review Letters. 110: 038302. PMID 23373956 DOI: 10.1103/Physrevlett.110.038302 |
0.459 |
|
| 2013 |
Krönke S, Cao L, Vendrell O, Schmelcher P. Non-equilibrium quantum dynamics of ultra-cold atomic mixtures: the multi-layer multi-configuration time-dependent Hartree method for bosons New Journal of Physics. 15: 063018. DOI: 10.1088/1367-2630/15/6/063018 |
0.33 |
|
| 2012 |
Meng Q, Faraji S, Vendrell O, Meyer HD. Full dimensional quantum-mechanical simulations for the vibronic dynamics of difluorobenzene radical cation isomers using the multilayer multiconfiguration time-dependent Hartree method. The Journal of Chemical Physics. 137: 134302. PMID 23039594 DOI: 10.1063/1.4755372 |
0.632 |
|
| 2012 |
Dixit G, Vendrell O, Santra R. Imaging electronic quantum motion with light Proceedings of the National Academy of Sciences of the United States of America. 109: 11636-11640. PMID 22753505 DOI: 10.1073/Pnas.1202226109 |
0.36 |
|
| 2012 |
Joubert-Doriol L, Lasorne B, Gatti F, Schröder M, Vendrell O, Meyer H. Suitable coordinates for quantum dynamics: Applications using the multiconfiguration time-dependent Hartree (MCTDH) algorithm Computational and Theoretical Chemistry. 990: 75-89. DOI: 10.1016/J.Comptc.2011.12.015 |
0.581 |
|
| 2011 |
Madjet Mel-A, Vendrell O, Santra R. Ultrafast dynamics of photoionized acetylene. Physical Review Letters. 107: 263002. PMID 22243154 DOI: 10.1103/Physrevlett.107.263002 |
0.494 |
|
| 2011 |
Vendrell O, Meyer HD. Multilayer multiconfiguration time-dependent Hartree method: implementation and applications to a Henon-Heiles hamiltonian and to pyrazine. The Journal of Chemical Physics. 134: 044135. PMID 21280715 DOI: 10.1063/1.3535541 |
0.556 |
|
| 2011 |
Vendrell O, Meyer HD. Multilayer multiconfiguration time-dependent Hartree method: Implementation and applications to a Henon-Heiles Hamiltonian and to pyrazine Journal of Chemical Physics. 134. DOI: 10.1063/1.3535541 |
0.51 |
|
| 2010 |
Vendrell O, Stoychev SD, Cederbaum LS. Generation of highly damaging H2O+ radicals by inner valence shell ionization of water. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 11: 1006-9. PMID 20146281 DOI: 10.1002/Cphc.201000034 |
0.313 |
|
| 2009 |
Vendrell O, Gatti F, Meyer HD. Full dimensional (15 dimensional) quantum-dynamical simulation of the protonated water-dimer IV: isotope effects in the infrared spectra of D(D2O)2(+), H(D2O)2(+), and D(H2O)2(+) isotopologues. The Journal of Chemical Physics. 131: 034308. PMID 19624198 DOI: 10.1063/1.3183166 |
0.622 |
|
| 2009 |
Vendrell O, Brill M, Gatti F, Lauvergnat D, Meyer HD. Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water-dimer III: Mixed Jacobi-valence parametrization and benchmark results for the zero point energy, vibrationally excited states, and infrared spectrum. The Journal of Chemical Physics. 130: 234305. PMID 19548725 DOI: 10.1063/1.3152488 |
0.65 |
|
| 2009 |
Eroms M, Vendrell O, Jungen M, Meyer HD, Cederbaum LS. Nuclear dynamics during the resonant Auger decay of water molecules. The Journal of Chemical Physics. 130: 154307. PMID 19388746 DOI: 10.1063/1.3117902 |
0.64 |
|
| 2009 |
Vendrell O, Gatti F, Meyer HD. Strong isotope effects in the infrared spectrum of the zundel cation Angewandte Chemie - International Edition. 48: 352-355. PMID 19040241 DOI: 10.1002/Anie.200804646 |
0.634 |
|
| 2009 |
Vendrell O, Meyer HD. Proton Transfer and Hydrated Proton in Small Water Systems Multidimensional Quantum Dynamics: McTdh Theory and Applications. 311-333. DOI: 10.1002/9783527627400.ch23 |
0.53 |
|
| 2008 |
Vendrell O, Gelabert R, Moreno M, Lluch JM. A Potential Energy Function for Heterogeneous Proton-Wires. Ground and Photoactive States of the Proton-Wire in the Green Fluorescent Protein. Journal of Chemical Theory and Computation. 4: 1138-50. PMID 26636367 DOI: 10.1021/Ct800075W |
0.714 |
|
| 2008 |
Vendrell O, Gelabert R, Moreno M, Lluch JM. Exploring the effects of intramolecular vibrational energy redistribution on the operation of the proton wire in green fluorescent protein. The Journal of Physical Chemistry. B. 112: 13443-52. PMID 18826182 DOI: 10.1021/Jp805049C |
0.728 |
|
| 2008 |
Vendrell O, Meyer HD. A proton between two waters: insight from full-dimensional quantum-dynamics simulations of the [H2O-H-OH2]+ cluster. Physical Chemistry Chemical Physics : Pccp. 10: 4692-703. PMID 18688512 DOI: 10.1039/B807317A |
0.671 |
|
| 2008 |
Vendrell O, Gelabert R, Moreno M, Lluch JM. Operation of the proton wire in green fluorescent protein. A quantum dynamics simulation. The Journal of Physical Chemistry. B. 112: 5500-11. PMID 18396917 DOI: 10.1021/Jp801169Z |
0.715 |
|
| 2007 |
Vendrell O, Gatti F, Meyer HD. Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. II. Infrared spectrum and vibrational dynamics. The Journal of Chemical Physics. 127: 184303. PMID 18020635 DOI: 10.1063/1.2787596 |
0.635 |
|
| 2007 |
Vendrell O, Gatti F, Lauvergnat D, Meyer HD. Full-dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. I. Hamiltonian setup and analysis of the ground vibrational state. The Journal of Chemical Physics. 127: 184302. PMID 18020634 DOI: 10.1063/1.2787588 |
0.661 |
|
| 2007 |
Vendrell O, Gatti F, Meyer HD. Dynamics and infrared spectroscopy of the protonated water dimer Angewandte Chemie - International Edition. 46: 6918-6921. PMID 17676569 DOI: 10.1002/Anie.200702201 |
0.639 |
|
| 2007 |
Vendrell O, Gatti F, Meyer H. Dynamik und Infrarotspektroskopie des protonierten Wasser-Dimers Angewandte Chemie. 119: 7043-7046. DOI: 10.1002/Ange.200702201 |
0.474 |
|
| 2006 |
Vendrell O, Gelabert R, Moreno M, Lluch JM. Potential energy landscape of the photoinduced multiple proton-transfer process in the green fluorescent protein: classical molecular dynamics and multiconfigurational electronic structure calculations. Journal of the American Chemical Society. 128: 3564-74. PMID 16536529 DOI: 10.1021/Ja0549998 |
0.718 |
|
| 2006 |
Casadesús R, Vendrell O, Moreno M, Lluch JM, Morokuma K. On the intramolecular proton transfer of 3-hydroxyflavone in the first singlet excited state: A theoretical study Chemical Physics. 325: 243-250. DOI: 10.1016/J.Chemphys.2005.12.028 |
0.453 |
|
| 2005 |
Vendrell O, Meyer HD. Proton conduction along a chain of water molecules. Development of a linear model and quantum dynamical investigations using the multiconfiguration time-dependent Hartree method. The Journal of Chemical Physics. 122: 104505. PMID 15836330 DOI: 10.1063/1.1859274 |
0.628 |
|
| 2005 |
Casadesús R, Vendrell O, Moreno M, Lluch JM. On the planarity of the tropolone molecule in the A˜1B2 excited state: A time dependent DFT geometry optimisation Chemical Physics Letters. 405: 187-192. DOI: 10.1016/J.Cplett.2005.02.025 |
0.421 |
|
| 2004 |
Vendrell O, Moreno M, Lluch JM. Fast hydrogen elimination from the [Ru(PH3)3(CO)(H)2] and [Ru(PH3)4(H)2] complexes in the first singlet excited states: a diabatic quantum dynamics study. The Journal of Chemical Physics. 121: 6258-67. PMID 15446919 DOI: 10.1063/1.1783171 |
0.692 |
|
| 2004 |
Vendrell O, Moreno M, Lluch JM, Hammes-Schiffer S. Molecular Dynamics of Excited State Intramolecular Proton Transfer: 2-(2‘-Hydroxyphenyl)-4-methyloxazole in Gas Phase, Solution, and Protein Environments The Journal of Physical Chemistry B. 108: 6616-6623. DOI: 10.1021/Jp037671E |
0.48 |
|
| 2004 |
Vendrell O, Gelabert R, Moreno M, Lluch JM. Photoinduced proton transfer from the green fluorescent protein chromophore to a water molecule: analysis of the transfer coordinate Chemical Physics Letters. 396: 202-207. DOI: 10.1016/J.Cplett.2004.08.028 |
0.448 |
|
| 2002 |
Vendrell O, Moreno M, Lluch JM. A combined nuclear dynamics and electronic study of the coupling between the internal rotation of the methyl group and the intramolecular proton transfer in 5-methyltropolone The Journal of Chemical Physics. 117: 7525-7533. DOI: 10.1063/1.1503317 |
0.48 |
|
| 2001 |
Rodrı́guez-Santiago L, Vendrell O, Tejero I, Sodupe M, Bertran J. Solvent-assisted catalysis in the enolization of acetaldehyde radical cation Chemical Physics Letters. 334: 112-118. DOI: 10.1016/S0009-2614(00)01458-5 |
0.57 |
|
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