MOLECULAR-ORBITAL STUDIES OF HYDROGEN-BONDS .4. HYDROGEN-BONDS IN EXCITED-STATES OF H2CO WITH H2O

被引：30

作者：

IWATA, S ^{[1
]}

MOROKUMA, K ^{[1
]}

机构：

[1] UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627

来源：

CHEMICAL PHYSICS LETTERS | 1973年 / 19卷 / 01期

关键词：

D O I：

10.1016/0009-2614(73)87071-X

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

页码：94 / 98

页数：5

共 9 条

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PEYERIMHOFF, SD .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (04) :1368-+

[2] MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .14. EQUILIBRIUM GEOMETRIES AND ENERGIES OF LOW-LYING EXCITED-STATES [J].

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[3]

HERZBERG G, 1966, ELECTRONIC SPECTRA P

[4] THEORY OF HYDROGEN-BOND [J].

KOLLMAN, PA ;

ALLEN, LC .

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[5] MOLECULAR-ORBITAL STUDIES OF HYDROGEN BONDS . AN AB INITIO CALCULATION FOR DIMERIC H2O [J].

MOROKUMA, K ;

PEDERSEN, L .

JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (07) :3275-+

[6] EXTENDED HARTREE-FOCK THEORY FOR EXCITED-STATES [J].

MOROKUMA, K ;

IWATA, S .

CHEMICAL PHYSICS LETTERS, 1972, 16 (01) :192-&

[7] MOLECULAR ORBITAL STUDIES OF HYDROGEN BONDS .3. C=O H-O HYDROGEN BOND IN H2CO H2O AND H2CO 2H2O [J].

MOROKUMA, K .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (03) :1236-&

[8]

MOROKUMA K, UNPUBLISHED WORK

[9]

Pimentel G.C., 1960, HYDROGEN BOND

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