POTENTIAL-ENERGY SURFACES IN HYPERSPHERICAL COORDINATES - ABINITIO KINETIC PATHS FOR THE O(P-3)+H2 REACTION

被引：13
|
作者：
AQUILANTI, V
CAVALLI, S
GROSSI, G
PELLIZZARI, V
ROSI, M
SGAMELLOTTI, A
TARANTELLI, F
机构：
来源：
CHEMICAL PHYSICS LETTERS | 1989年 / 162卷 / 03期
关键词：
D O I：
10.1016/0009-2614(89)85121-8
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：179 / 184
页数：6
相关论文
共 50 条
  • [1] KINETIC PATHS FROM THE HYPERSPHERICAL PERSPECTIVE - ABINITIO POTENTIAL-ENERGY SURFACE FOR THE O(P-3)+H2 REACTION
    AQUILANTI, V
    CAVALLI, S
    GROSSI, G
    ROSI, M
    SGAMELLOTTI, A
    TARANTELLI, F
    [J]. SUPERCOMPUTER ALGORITHMS FOR REACTIVITY, DYNAMICS AND KINETICS OF SMALL MOLECULES, 1989, 277 : 95 - 103
  • [2] IMPROVED POTENTIAL-ENERGY SURFACES FOR THE REACTION O(P-3)+H-2-]OH+H
    JOSEPH, T
    TRUHLAR, DG
    GARRETT, BC
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (11): : 6982 - 6990
  • [3] THEORETICAL-STUDY OF THE POTENTIAL-ENERGY SURFACE FOR O(P-3)+H2
    WALCH, SP
    DUNNING, TH
    RAFFENETTI, RC
    BOBROWICZ, FW
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (01): : 406 - 415
  • [4] QUANTUM REACTIVE SCATTERING IN 3 DIMENSIONS USING HYPERSPHERICAL (APH) COORDINATES .5. COMPARISON BETWEEN 2 ACCURATE POTENTIAL-ENERGY SURFACES FOR H + H2 AND D + H2
    KRESS, JD
    BACIC, Z
    PARKER, GA
    PACK, RT
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (21): : 8055 - 8058
  • [5] A THEORETICAL INVESTIGATION OF THE 2 LOWEST POTENTIAL-ENERGY SURFACES FOR THE REACTION C(P-3)+NO((2)PI)
    PERSSON, BJ
    ROOS, BO
    SIMONSON, M
    [J]. CHEMICAL PHYSICS LETTERS, 1995, 234 (4-6) : 382 - 389
  • [6] THE POTENTIAL-ENERGY SURFACE OF TRIPLET H-3+ - A REPRESENTATION IN HYPERSPHERICAL COORDINATES
    WORMER, PES
    DEGROOT, F
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (04): : 2344 - 2356
  • [7] ABINITIO POTENTIAL-ENERGY SURFACES FOR THE REACTION OF BH2 WITH NO
    HARRISON, JA
    MACLAGAN, RGAR
    [J]. CHEMICAL PHYSICS LETTERS, 1989, 155 (4-5) : 419 - 422
  • [8] UNIMOLECULAR REACTION DYNAMICS ON ABINITIO POTENTIAL-ENERGY SURFACES
    TROE, J
    [J]. BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1988, 92 (03): : 242 - 252
  • [9] POTENTIAL-ENERGY SURFACES FOR THE REACTION OF B+(S-1,P-3) WITH H2 USING SPIN-COUPLED VB THEORY - ASYMPTOTIC REGIONS OF THE SURFACES
    COOPER, DL
    GERRATT, J
    RAIMONDI, M
    [J]. CHEMICAL PHYSICS LETTERS, 1986, 127 (06) : 600 - 608
  • [10] POTENTIAL-ENERGY SURFACES FOR THE REACTION SI + H2O
    SAKAI, S
    GORDON, MS
    JORDAN, KD
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (25): : 7053 - 7057
12345