Study of hydrogen abstraction reactions by Hartree-Fock density functional methods.

被引：0
|
作者：
Skokov, S [1 ]
Wheeler, RA [1 ]
机构：
[1] UNIV OKLAHOMA,DEPT CHEM & BIOCHEM,NORMAN,OK 73019
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1997年 / 213卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：158 / COMP
页数：1
相关论文
共 50 条
  • [41] Hartree-Fock and density functional theory studies on the molecular recognition of the cyclodextrin
    Liu, L
    Li, XS
    Guo, QX
    Liu, YC
    [J]. CHINESE CHEMICAL LETTERS, 1999, 10 (12) : 1053 - 1056
  • [42] Hypernuclear stars from relativistic Hartree-Fock density functional theory
    Jia Jie Li
    Wen Hui Long
    Armen Sedrakian
    [J]. The European Physical Journal A, 2018, 54
  • [43] A NEW MIXING OF HARTREE-FOCK AND LOCAL DENSITY-FUNCTIONAL THEORIES
    BECKE, AD
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (02): : 1372 - 1377
  • [44] The MP2 energy as a functional of the Hartree-Fock density matrix
    Surján, PR
    [J]. CHEMICAL PHYSICS LETTERS, 2005, 406 (4-6) : 318 - 320
  • [45] Extended Hartree-Fock method based on pair density functional theory
    Hetenyi, Balazs
    Hauser, Andreas W.
    [J]. PHYSICAL REVIEW B, 2008, 77 (15):
  • [46] A Quasirelativistic Two-component Density Functional and Hartree-Fock Program
    van Wuellen, Christoph
    [J]. ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS, 2010, 224 (3-4): : 413 - 426
  • [47] Hypernuclear stars from relativistic Hartree-Fock density functional theory
    Li, Jia Jie
    Long, Wen Hui
    Sedrakian, Armen
    [J]. EUROPEAN PHYSICAL JOURNAL A, 2018, 54 (08):
  • [48] Hartree-Fock and Density Functional Theory Studies on the Molecular Recognition of the Cyclodextrin
    Lei LIU
    Xiao Song LI
    Qing Xiang GUO
    You Cheng LIUDepartment of Chemistry
    [J]. Chinese Chemical Letters, 1999, (12) : 0 - 0
  • [49] Local Covariant Density Functional Constrained by the Relativistic Hartree-Fock Theory
    Liang, H. Z.
    Meng, J.
    Ring, P.
    Roca-Maza, X.
    Zhao, P. W.
    [J]. NUCLEAR STRUCTURE AND DYNAMICS '12, 2012, 1491 : 230 - 233
  • [50] Density functional theory versus the Hartree-Fock method: Comparative assessment
    Amusia, MY
    Msezane, AZ
    Shaginyan, VR
    [J]. PHYSICA SCRIPTA, 2003, 68 (06) : C133 - C140
12345