A semiclassical molecular dynamics approach to study chemical reaction dynamics in gaseous and condensed phase systems

被引：0
|
作者：
Liu, Jian [1 ]
Miller, William H. [1 ]
机构：
[1] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2009年 / 238卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
328-PHYS
引用
收藏
页数：1
相关论文
共 50 条
  • [41] Semiclassical description of nuclear quantum effects in solvated and condensed phase molecular systems
    Conte, Riccardo
    Mandelli, Giacomo
    Botti, Giacomo
    Moscato, Davide
    Lanzi, Cecilia
    Cazzaniga, Marco
    Aieta, Chiara
    Ceotto, Michele
    CHEMICAL SCIENCE, 2024, 16 (01) : 20 - 28
  • [42] Machine Learning in QM/MM Molecular Dynamics Simulations of Condensed-Phase Systems
    Boeselt, Lennard
    Thuerlemann, Moritz
    Riniker, Sereina
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2021, 17 (05) : 2641 - 2658
  • [43] Semiclassical calculation of chemical reaction dynamics via wavepacket correlation functions
    Tannor, DJ
    Garashchuk, S
    ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 2000, 51 : 553 - 600
  • [44] Semiclassical dynamics of nanoelectromechanical systems
    Hussein, R.
    Metelmann, A.
    Zedler, P.
    Brandes, T.
    PHYSICAL REVIEW B, 2010, 82 (16):
  • [45] Chemical Dynamics in Condensed Phases
    Irwin Oppenheim
    Journal of Statistical Physics, 2007, 126 (6) : 1287 - 1289
  • [46] Nanostructures nucleation in carbon-metal gaseous phase: A molecular dynamics study
    Galiullina, G. M.
    Orekhov, N. D.
    Stegailov, V. V.
    XXXII INTERNATIONAL CONFERENCE ON INTERACTION OF INTENSE ENERGY FLUXES WITH MATTER (ELBRUS 2017), 2018, 946
  • [47] Molecular Dynamics Simulation of Condensed-Phase Chiral Molecular Propellers
    Yoneya, M.
    Tabe, Y.
    Yokoyama, H.
    JOURNAL OF PHYSICAL CHEMISTRY B, 2010, 114 (25): : 8320 - 8326
  • [48] Molecular dynamics study of phase separation in fluids with chemical reactions
    Krishnan, Raishma
    Puri, Sanjay
    PHYSICAL REVIEW E, 2015, 92 (05)
  • [49] A semiclassical molecular dynamics of the photochromic ring-opening reaction of spiropyran
    Gao-Hong Zhai
    Pei Yang
    Shao-Mei Wu
    Yi-Bo Lei
    Yu-Sheng Dou
    Chinese Chemical Letters, 2014, 25 (05) : 727 - 731
  • [50] A semiclassical molecular dynamics of the photochromic ring-opening reaction of spiropyran
    Zhai, Gao-Hong
    Yang, Pei
    Wu, Shao-Mei
    Lei, Yi-Bo
    Dou, Yu-Sheng
    CHINESE CHEMICAL LETTERS, 2014, 25 (05) : 727 - 731
12345