Molecular dynamics simulation of rare events: Calculation of rate constants

被引：0
|
作者：
Ciccotti, G [1 ]
Ferrario, M [1 ]
机构：
[1] UNIV ROMA LA SAPIENZA,IST NAZL FIS MAT,I-00185 ROME,ITALY
来源：
MONTE CARLO AND MOLECULAR DYNAMICS OF CONDENSED MATTER SYSTEMS | 1996年 / 49卷
关键词：
D O I：
暂无
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
引用
收藏
页码：107 / 122
页数：16
相关论文
共 50 条
  • [1] On the calculation of vibrational energy relaxation rate constants from centroid molecular dynamics simulations
    Shi, Q
    Geva, E
    JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (17): : 9030 - 9046
  • [2] Rare events by constrained molecular dynamics
    Ciccotti, G
    Ferrario, M
    JOURNAL OF MOLECULAR LIQUIDS, 2000, 89 (1-3) : 1 - 18
  • [3] Characterization of Rare Events in Molecular Dynamics
    Hartmann, Carsten
    Banisch, Ralf
    Sarich, Marco
    Badowski, Tomasz
    Schuette, Christof
    ENTROPY, 2014, 16 (01): : 350 - 376
  • [4] Predicting rare events in molecular dynamics
    Anderson, JB
    ADVANCES IN CHEMICAL PHYSICS, VOL 91, 1995, 91 : 381 - 431
  • [5] Calculation and prediction of rate and equilibrium constants for aggregation of porphyrin by molecular dynamics, Docking and QSPR methods
    Ghadamgahi, Maryam
    Ajloo, Davood
    JOURNAL OF PORPHYRINS AND PHTHALOCYANINES, 2011, 15 (04) : 240 - 256
  • [6] Simulation of quantum molecular dynamics in the condensed phase: Rate constants, correlation functions and nonequilibrium dynamics.
    Geva, E
    Shi, Q
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2004, 227 : U253 - U253
  • [7] Dissociation Rate Calculation via Constant-Force Steered Molecular Dynamics Simulation
    Iida, Shinji
    Kameda, Tomoshi
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2023, 63 (11) : 3369 - 3376
  • [8] CONSTRAINED REACTION COORDINATE DYNAMICS FOR THE SIMULATION OF RARE EVENTS
    CARTER, EA
    CICCOTTI, G
    HYNES, JT
    KAPRAL, R
    CHEMICAL PHYSICS LETTERS, 1989, 156 (05) : 472 - 477
  • [9] Exploring rare events in proteins with adaptive molecular dynamics
    Clementi, Cecilia
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251
  • [10] Markov State Models for Rare Events in Molecular Dynamics
    Sarich, Marco
    Banisch, Ralf
    Hartmann, Carsten
    Schuette, Christof
    ENTROPY, 2014, 16 (01): : 258 - 286
12345