MODELS FOR THEORY OF HYDROGEN BOND - LINEAR H-/3

被引：5

作者：

HAAS, TE

FEINBERG, MJ

机构：

[1] Department of Chemistry, Tufts University, Medford, Massachusetts

来源：

THEORETICA CHIMICA ACTA | 1968年 / 10卷 / 02期

关键词：

D O I：

10.1007/BF00528151

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：

An analogy is drawn between the hydrogen bond and the interaction of H2 with H- as a prototype. The energy surface for linear H3/- is calculated using a minimal basis set of 1s orbitals and complete configuration interaction. The appearance of single and double minimum potentials on this surface is discussed. © 1968 Springer-Verlag.

引用

页码：189 / &

共 8 条

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BOWEN, HC
LINNETT, JW
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[3] QUANTUM-MECHANICAL STUDY OF TRANSITION STATE IN H3 SYSTEM
BOWEN, HC
LINNETT, JW
[J]. TRANSACTIONS OF THE FARADAY SOCIETY, 1966, 62 (527P): : 2953 - &
[4] MOLECULAR SCHRODINGER EQUATION .6. RESULTS FOR H3 AND OTHER SIMPLE SYSTEMS
CONROY, H
BRUNER, BL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (03) : 921 - &
[5] COTTRELL TL, 1951, P ROY SOC LONDON A, V207, P99
[6] COULSON CA, 1954, ARK FYS, V8, P245
[7] MODEL 2-ELECTRON CHEMICAL BONDS AND CONCEPT OF ELECTRONEGATIVITY
FEINBERG, MJ
HAAS, TE
[J]. THEORETICA CHIMICA ACTA, 1967, 7 (04): : 290 - &
[8] LOWDIN PO, 1966, QUANTUM THEORY AT ED, P39

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