PHYS 87-Bond-dissociation in the condensed phase: Mixed quantum/classical molecular dynamics simulations

被引：0
|
作者：
Glover, William J. [1 ]
Schwartz, Benjamin J. [1 ]
机构：
[1] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2006年 / 232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：
87-PHYS
引用
收藏
页数：1
相关论文
共 50 条
  • [1] Mixed quantum/classical molecular dynamics simulations of the hydrated dielectron: The role of exchange in condensed-phase structure, dynamics, and spectroscopy
    Larsen, RE
    Schwartz, BJ
    JOURNAL OF PHYSICAL CHEMISTRY B, 2004, 108 (31): : 11760 - 11773
  • [2] Book Review: Classical and Quantum Dynamics in Condensed Phase Simulations
    Journal of Statistical Physics, 1999, 97 (1-2) : 419 - 420
  • [3] On the adequacy of mixed quantum-classical dynamics in condensed phase systems
    Egorov, SA
    Rabani, E
    Berne, BJ
    JOURNAL OF PHYSICAL CHEMISTRY B, 1999, 103 (50): : 10978 - 10991
  • [4] Applicability of mixed quantum-classical theories to condensed phase dynamics
    Tully, John
    Parandekar, Priya
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 231
  • [5] Condensed phase relaxation dynamics:: Non-adiabatic mixed quantum/classical molecular dynamics simulations of photo-excited sodide (Na-).
    Smallwood, CJ
    Bedard-Hearn, MJ
    Larsen, RE
    Schwartz, BJ
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2004, 228 : U253 - U253
  • [6] MIXED QUANTUM CLASSICAL SIMULATIONS OF NONADIABATIC DYNAMICS
    FRIESNER, RA
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1989, 198 : 65 - PHYS
  • [7] Quantum decoherence and the isotope effect in condensed phase nonadiabatic molecular dynamics simulations
    Schwartz, BJ
    Bittner, ER
    Prezhdo, OV
    Rossky, PJ
    JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (15): : 5942 - 5955
  • [8] PHYS 109-Using semiclassical theory to add quantum effects to classical molecular dynamics simulations
    Miller, William H.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2008, 236
  • [9] Mixed quantum/classical molecular dynamics simulations of hydride transfer in dihydrofolate reductase.
    Agarwal, PK
    Billeter, SR
    Hammes-Schiffer, S
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2001, 222 : U400 - U400
  • [10] Mixed quantum/classical molecular dynamics simulations of hydride transfer in dihydrofolate reductase.
    Agarwal, PK
    Billeter, SR
    Hammes-Schiffer, S
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2001, 222 : U229 - U229
12345