CANONICAL MOLECULAR-DYNAMICS OF MOLECULES WITH INTERNAL DEGREES OF FREEDOM

被引:14
|
作者
TOXVAERD, S [1 ]
OLSEN, OH [1 ]
机构
[1] NOVO NORDISK AS,DK-2880 BAGSVAERD,DENMARK
关键词
D O I
10.1002/bbpc.19900940316
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:274 / 278
页数:5
相关论文
共 50 条
  • [21] ORIENTATION ORDERING OF MESOGENIC MOLECULES WITH INTERNAL FREEDOM DEGREES
    GERASIMOV, AA
    KHIMICHESKAYA FIZIKA, 1986, 5 (10): : 1351 - 1357
  • [22] ON THE METRIPLECTIC DYNAMICS FOR SYSTEMS WITH INTERNAL DEGREES OF FREEDOM
    TURSKI, LA
    PHYSICS LETTERS A, 1987, 125 (09) : 461 - 464
  • [23] Laser cooling of internal molecular degrees of freedom
    Schirmer, SG
    PROCEEDINGS OF THE 39TH IEEE CONFERENCE ON DECISION AND CONTROL, VOLS 1-5, 2000, : 1376 - 1381
  • [24] MOLECULAR-DYNAMICS SIMULATION FOR AN ENSEMBLE OF COUPLED QUANTUM 2 LEVEL SYSTEMS WITH CLASSICAL DEGREES OF FREEDOM
    HOFMANN, P
    BRICKMANN, J
    JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (10): : 6501 - 6511
  • [25] MOLECULAR-DYNAMICS WITH A VARIABLE NUMBER OF MOLECULES
    CAGIN, T
    PETTITT, BM
    MOLECULAR PHYSICS, 1991, 72 (01) : 169 - 175
  • [26] Internal degrees of freedom, molecular symmetry and thermodiffusion
    Semenov, Semen N.
    Schimpf, Martin E.
    COMPTES RENDUS MECANIQUE, 2011, 339 (05): : 335 - 341
  • [27] MOLECULAR-DYNAMICS SIMULATION OF RIGID MOLECULES
    CICCOTTI, G
    RYCKAERT, JP
    COMPUTER PHYSICS REPORTS, 1986, 4 (06): : 345 - 392
  • [28] MOLECULAR-DYNAMICS WITH INTERNAL COORDINATE CONSTRAINTS
    TOBIAS, DJ
    BROOKS, CL
    JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (08): : 5115 - 5127
  • [29] CANONICAL NUMERICAL-METHODS FOR MOLECULAR-DYNAMICS SIMULATIONS
    OKUNBOR, DI
    SKEEL, RD
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 1994, 15 (01) : 72 - 79
  • [30] Laser heating, cooling, and transparency of internal degrees of freedom of molecules
    Tannor, DJ
    Kosloff, R
    Bartana, A
    Neumark, DM
    Manz, J
    CHEMICAL REACTIONS AND THEIR CONTROL ON THE FEMTOSECOND TIME SCALE XXTH SOLVAY CONFERENCE ON CHEMISTRY, 1997, 101 : 301 - 314