| 1 |
Improving the Accuracy of Quasiclassical Mapping Hamiltonian Methods by Treating the Window Function Width as an Adjustable Parameter
Gao X, Geva E
Journal of Physical Chemistry A, 124(52), 11006, 2020 |
| 2 |
On the Role of the Special Pair in Photosystems as a Charge Transfer Rectifier
Aksu H, Schubert A, Bhandari S, Yamada A, Geva E, Dunietz BD
Journal of Physical Chemistry B, 124(10), 1987, 2020 |
| 3 |
Photoinduced Charge Transfer Dynamics in the Carotenoid-Porphyrin-C-60 Triad via the Linearized Semiclassical Nonequilibrium Fermi's Golden Rule
Hu ZB, Tong ZQ, Cheung MS, Dunietz BD, Geva E, Sun X
Journal of Physical Chemistry B, 124(43), 9579, 2020 |
| 4 |
Explaining Spectral Asymmetries and Excitonic Characters of the Core Pigment Pairs in the Bacterial Reaction Center Using a Screened Range-Separated Hybrid Functional
Aksu H, Schubert A, Geva E, Dunietz BD
Journal of Physical Chemistry B, 123(42), 8970, 2019 |
| 5 |
Vibrational Lifetimes of Cyanide Ion in Aqueous Solution from Molecular Dynamics Simulations: Intermolecular vs Intramolecular Accepting Modes
Talapatra S, Geva E
Journal of Physical Chemistry B, 118(26), 7395, 2014 |
| 6 |
The Entropic Origin of Solvent Effects on the Single Bond cZt-tZt Isomerization Rate Constant of 1,3,5-cis-Hexatriene in Alkane and Alcohol Solvents: A Molecular Dynamics Study
Vazquez FX, Talapatra S, Sension RJ, Geva E
Journal of Physical Chemistry B, 118(28), 7869, 2014 |
| 7 |
Molecular Structure, Spectroscopy, and Photoinduced Kinetics in Trinuclear Cyanide Bridged Complex in Solution: A First-Principles Perspective
Zheng ZL, Manna AK, Hendrickson HP, Hammer M, Song CC, Geva E, Dunietz BD
Journal of the American Chemical Society, 136(49), 16954, 2014 |
| 8 |
A Mixed Quantum-Classical Molecular Dynamics Study of the Hydroxyl Stretch in Methanol/Carbon Tetrachloride Mixtures III: Nonequilibrium Hydrogen-Bond Dynamics and Infrared Pump-Probe Spectra
Kwac K, Geva E
Journal of Physical Chemistry B, 117(25), 7737, 2013 |
| 9 |
Solvation Dynamics of Formylperylene Dissolved in Methanol-Acetonitrile Liquid Mixtures: A Molecular Dynamics Study
Kwac K, Geva E
Journal of Physical Chemistry B, 117(34), 9996, 2013 |
| 10 |
A Mixed Quantum-Classical Molecular Dynamics Study of anti-Tetrol and syn-Tetrol Dissolved in Liquid Chloroform II: Infrared Emission Spectra, Vibrational Excited-State Lifetimes, and Nonequilibrium Hydrogen-Bond Dynamics
Kwac K, Geva E
Journal of Physical Chemistry B, 117(46), 14457, 2013 |
