화학공학소재연구정보센터
검색결과 : 21건
No. Article
1 Vibronic Quantum Beating between Electronic Excited States in a Heterodimer
Freixas VM, Tretiak S, Makhov DV, Shalashilin DV, Fernandez-Alberti S
Journal of Physical Chemistry B, 124(19), 3992, 2020
2 Fully Atomistic Simulations of Protein Unfolding in Low Speed Atomic Force Microscope and Force Clamp Experiments with the Help of Boxed Molecular Dynamics
Booth JJ, Shalashilin DV
Journal of Physical Chemistry B, 120(4), 700, 2016
3 Benchmark calculation for tunnelling through a multidimensional asymmetric double well potential
Green JA, Shalashilin DV
Chemical Physics Letters, 641, 173, 2015
4 Boxed Molecular Dynamics: A Simple and General Technique for Accelerating Rare Event Kinetics and Mapping Free Energy in Large Molecular Systems
Glowacki DR, Paci E, Shalashilin DV
Journal of Physical Chemistry B, 113(52), 16603, 2009
5 Quantum initial value representation simulation of water trimer far infrared absorption spectrum
Shalashilin DV, Child MS, Clary DC
Journal of Chemical Physics, 120(12), 5608, 2004
6 Real time quantum propagation on a Monte Carlo trajectory guided grids of coupled coherent states: 26D simulation of pyrazine absorption spectrum
Shalashilin DV, Child MS
Journal of Chemical Physics, 121(8), 3563, 2004
7 Locally coupled coherent states and Herman-Kluk dynamics
Child MS, Shalashilin DV
Journal of Chemical Physics, 118(5), 2061, 2003
8 Nine-dimensional quantum molecular dynamics simulation of intramolecular vibrational energy redistribution in the CHD3 molecule with the help of coupled coherent states
Shalashilin DV, Child MS
Journal of Chemical Physics, 119(4), 1961, 2003
9 Description of tunneling with the help of coupled frozen Gaussians
Shalashilin DV, Child MS
Journal of Chemical Physics, 114(21), 9296, 2001
10 Multidimensional quantum propagation with the help of coupled coherent states
Shalashilin DV, Child MS
Journal of Chemical Physics, 115(12), 5367, 2001