ABINITIO CALCULATIONS OF THE POTENTIAL-ENERGY SURFACE OF THE REACTION OF SINGLET METHYLENE WITH THE HYDROGEN MOLECULE

被引:39
|
作者
KOLLMAR, H
STAEMMLER, V
机构
来源
THEORETICA CHIMICA ACTA | 1979年 / 51卷 / 03期
关键词
D O I
10.1007/BF00572928
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:207 / 217
页数:11
相关论文
共 50 条
  • [21] POTENTIAL-ENERGY SURFACE FOR WATER MOLECULE
    ROSENBERG, BJ
    ERMLER, WC
    SHAVITT, I
    BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1974, 19 (03): : 237 - 237
  • [22] A THEORETICAL INSIGHT INTO THE INSERTION REACTION OF SINGLET METHYLENE TO THE HYDROGEN MOLECULE
    ORTEGA, M
    LLUCH, JM
    OLIVA, A
    BERTRAN, J
    CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1987, 65 (09): : 1995 - 1999
  • [23] ABINITIO POTENTIAL-ENERGY SURFACE FOR AR-3(+)
    CHEN, ZY
    MAY, BD
    CASTLEMAN, AW
    ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, 1993, 25 (03): : 239 - 246
  • [24] COMPETING REACTIONS OF THE ACETONE CATION RADICAL - RRKM QET CALCULATIONS ON AN ABINITIO POTENTIAL-ENERGY SURFACE
    HEINRICH, N
    LOUAGE, F
    LIFSHITZ, C
    SCHWARZ, H
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1988, 110 (24) : 8183 - 8192
  • [25] AN ANALYTICAL 6-DIMENSIONAL POTENTIAL-ENERGY SURFACE FOR (HF)2 FROM ABINITIO CALCULATIONS
    BUNKER, PR
    KOFRANEK, M
    LISCHKA, H
    KARPFEN, A
    JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (05): : 3002 - 3007
  • [26] MICROWAVE-SPECTRUM AND ABINITIO CALCULATIONS OF ETHYLBENZENE - POTENTIAL-ENERGY SURFACE OF THE ETHYL GROUP TORSION
    CAMINATI, W
    DAMIANI, D
    CORBELLI, G
    VELINO, B
    BOCK, CW
    MOLECULAR PHYSICS, 1991, 74 (04) : 885 - 895
  • [27] POTENTIAL-ENERGY SURFACES OF CYCLOBUTADIENE - ABINITIO SCF AND CI CALCULATIONS FOR LOW-LYING SINGLET AND TRIPLET-STATES
    JAFRI, JA
    NEWTON, MD
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (16) : 5012 - 5017
  • [28] ABINITIO CALCULATIONS OF POTENTIAL-ENERGY CURVES OF HG2 AND TLHG
    CELESTINO, KC
    ERMLER, WC
    JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (04): : 1872 - 1881
  • [29] ABINITIO POTENTIAL-ENERGY SURFACES FOR THE REACTION OF BH2 WITH NO
    HARRISON, JA
    MACLAGAN, RGAR
    CHEMICAL PHYSICS LETTERS, 1989, 155 (4-5) : 419 - 422
  • [30] KINETICS OF THE REACTION BETWEEN OH AND HO2 ON THE SINGLET POTENTIAL-ENERGY SURFACE
    GONZALEZ, C
    THEISEN, J
    ZHU, L
    SCHLEGEL, HB
    HASE, WL
    KAISER, EW
    JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (18): : 6784 - 6792