MOLECULAR ORBITAL STUDIES OF HYDROGEN BONDS - DIMERIC H20 WITH SLATER MINIMAL BASIS SET

被引：140

作者：

MOROKUMA, K

WINICK, JR

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1970年 / 52卷 / 03期

关键词：

D O I：

10.1063/1.1673129

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：

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页码：1301 / &

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[1] BRATOZ S, 1967, ADV QUANTUM CHEM, V3, P209
[2] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .6. CHARGE-TRANSFER MECHANISM FOR NH3+HCL[--]NH4CL REACTION
CLEMENTI, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (07) : 2323 - &
[3] SCF-LCAO-MO WAVE FUNCTIONS FOR BIFLUORIDE ION
CLEMENTI, E
MCLEAN, AD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (03) : 745 - &
[4] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .7. INNER AND OUTER COMPLEX IN NH4CL FORMATION FROM NH3 AND HCL
CLEMENTI, E
GAYLES, JN
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (10) : 3837 - &
[5] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .2. WAVEFUNCTIONS FOR NH3+HCL-]NH4CL REACTION
CLEMENTI, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (10) : 3851 - &
[6] Coulson C. A., 1957, RESEARCH, V10, P149
[7] Hadzi D., 1959, HYDROGEN BONDING
[8] KOLLMAN P, PRIVATE COMMUNICATIO
[9] MOLECULAR-ORBITAL STUDIES OF HYDROGEN BONDS . AN AB INITIO CALCULATION FOR DIMERIC H2O
MOROKUMA, K
PEDERSEN, L
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (07) : 3275 - +
[10] ONE-ELECTRON PROPERTIES OF NEAR-HARTREE-FOCK WAVEFUNCTIONS .I. WATER
NEUMANN, D
MOSKOWITZ, JW
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (05) : 2056 - +