ON LONG-RANGE SPIN-ORBIT-COUPLING EFFECTS IN MOLECULAR-DYNAMICS - O-2+ DISSOCIATION AND PREDISSOCIATION

被引：15
|
作者：
DURUP, J
机构：
来源：
CHEMICAL PHYSICS | 1981年 / 59卷 / 03期
关键词：
D O I：
10.1016/0301-0104(81)85177-4
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：351 / 363
页数：13
相关论文
共 50 条
  • [21] A MOLECULAR-DYNAMICS SIMULATION STUDY OF LONG-RANGE IONIC DISTRIBUTIONS IN NA+BETA-''-ALUMINA
    ZENDEJAS, MA
    THOMAS, JO
    SOLID STATE IONICS, 1988, 28 : 46 - 52
  • [22] APPLICATION OF MOLECULAR-DYNAMICS METHOD TO A LIQUID-SYSTEM WITH LONG-RANGE FORCES (MOLTEN NACL)
    LANTELME, F
    TURQ, P
    QUENTREC, B
    LEWIS, JWE
    MOLECULAR PHYSICS, 1974, 28 (06) : 1537 - 1549
  • [23] ROTATIONAL ISOMERISM AND STEREOSPECIFIC LONG-RANGE SPIN COUPLING IN 2-FURANALDEHYDE
    DAHLQVIST, KI
    FORSEN, S
    JOURNAL OF PHYSICAL CHEMISTRY, 1965, 69 (05): : 1760 - +
  • [24] Quantifying the Long-Range Coupling of Electronic Properties in Proteins with ab initio Molecular Dynamics
    Yang, Zhongyue
    Hajlasz, Natalia
    Steeves, Adam H.
    Kulik, Heather J.
    CHEMISTRYMETHODS, 2021, 1 (08): : 362 - 373
  • [25] Exact reaction dynamics by the hyperquantization algorithm:: integral and differential cross sections for F+H2, including long-range and spin orbit effects
    Aquilanti, V
    Cavalli, S
    De Fazio, D
    Volpi, A
    Aguilar, A
    Giménez, X
    Lucas, JM
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2002, 4 (03) : 401 - 415
  • [26] DYNAMICS OF AN INTEGRABLE 2-SUBLATTICE SPIN MODEL WITH LONG-RANGE INTERACTION
    LIU, JM
    MULLER, G
    PHYSICAL REVIEW B, 1991, 44 (21) : 12020 - 12022
  • [27] EFFECTS OF LONG-RANGE INTERACTIONS IN ZEOLITES-LIKE SYSTEMS - DYNAMICAL BEHAVIOR OF WATER IN FERRIERITE FROM MOLECULAR-DYNAMICS SIMULATION
    LEHERTE, L
    VERCAUTEREN, DP
    DEROUANE, EG
    LIE, GC
    CLEMENTI, E
    ANDRE, JM
    ZEOLITES : FACTS, FIGURES, FUTURE, PTS A & B, 1989, 49 : 773 - 783
  • [28] LONG-RANGE FORCE MOLECULAR-DYNAMICS STUDY ON ELECTROSTATIC AND OTHER PROPERTIES OF A MEMBRANE-WATER INTERFACE
    SCHULTEN, K
    ZHOU, F
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1994, 208 : 14 - COMP
  • [29] MOLECULAR-DYNAMICS OF THERMAL-DISSOCIATION IN LIQUID N2O4
    KATO, T
    HAYASHI, S
    OOBATAKE, M
    MACHIDA, K
    JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (04): : 2777 - 2788
  • [30] CONFORMATIONAL DEPENDENCE OF LONG-RANGE SPIN-SPIN COUPLING CONSTANTS IN 2,6-DICHLOROBENZYLFLUORIDE
    SCHAEFER, T
    WONG, CM
    TAM, KC
    CANADIAN JOURNAL OF CHEMISTRY, 1969, 47 (19): : 3688 - &
12345