VIRIAL THEOREM DECOMPOSITION OF MOLECULAR FORCE-FIELDS

被引:9
|
作者
SIMONS, G [1 ]
NOVICK, JL [1 ]
机构
[1] WICHITA STATE UNIV,DEPT CHEM,WICHITA,KS 67208
来源
JOURNAL OF PHYSICAL CHEMISTRY | 1974年 / 78卷 / 10期
关键词
D O I
10.1021/j100603a009
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:989 / 993
页数:5
相关论文
共 50 条
  • [21] HOW TO DEVELOP FORCE-FIELDS
    RASMUSSEN, K
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1995, 209 : 110 - CARB
  • [22] NOTE ON NEWTONIAN FORCE-FIELDS
    BIRKHOFF, G
    BURTON, L
    CANADIAN JOURNAL OF MATHEMATICS-JOURNAL CANADIEN DE MATHEMATIQUES, 1949, 1 (02): : 199 - 208
  • [23] THE CONSTRUCTION OF CONTROLLING FORCE-FIELDS
    ZUBOV, VI
    ENGINEERING CYBERNETICS, 1982, 20 (04): : 142 - 148
  • [24] ABINITIO VIBRATIONAL FORCE-FIELDS
    FOGARASI, G
    PULAY, P
    ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1984, 35 : 191 - 213
  • [25] VALENCE FORCE-FIELDS FOR DIFLUOROETHYLENES
    OSKAM, A
    ELST, R
    RECUEIL DES TRAVAUX CHIMIQUES DES PAYS-BAS-JOURNAL OF THE ROYAL NETHERLANDS CHEMICAL SOCIETY, 1975, 94 (06): : 143 - 148
  • [26] FEATURES OF MOLECULAR MOBILITY OF POLYMERS AT SIMULTANEOUS ACTION OF VARIOUS FORCE-FIELDS
    POTEMKIN, AV
    ZELENEV, YV
    VYSOKOMOLEKULYARNYE SOEDINENIYA SERIYA A & SERIYA B, 1994, 36 (03): : 488 - 491
  • [27] CONFIGURATIONAL SPACE OF BIOLOGICAL MACROMOLECULES AS SEEN BY SEMIEMPIRICAL FORCE-FIELDS - INHERENT PROBLEMS FOR MOLECULAR DESIGN AND STRATEGIES TO SOLVE THEM BY MEANS OF HIERARCHICAL FORCE-FIELDS
    VONKITZING, E
    SCHMITT, E
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1995, 336 (2-3): : 245 - 259
  • [28] INFLUENCE OF THE SIMULTANEOUS ACTION OF THE EXTERNAL FORCE-FIELDS ON MOLECULAR MOBILITY IN POLYMERS
    POTEMKIN, AV
    ZELENEV, YV
    VYSOKOMOLEKULYARNYE SOEDINENIYA SERIYA A, 1991, 33 (08): : 1775 - 1779
  • [29] USE OF SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS FOR THE EVALUATION OF FORCE-FIELDS
    ANNAMALAI, A
    KANAKAVEL, M
    SINGH, S
    PROCEEDINGS OF THE INDIAN ACADEMY OF SCIENCES-CHEMICAL SCIENCES, 1984, 93 (06): : 917 - 926
  • [30] CONVERSION OF ABINITIO FORCE-FIELDS AND STRUCTURES TO MOLECULAR MECHANICS ENERGY FUNCTIONS
    PALMO, K
    PIETILA, LO
    KRIMM, S
    COMPUTERS & CHEMISTRY, 1991, 15 (03): : 249 - 250