ELECTRONIC AND MOLECULAR-STRUCTURE OF THE WATER DIMER CATION - A THEORETICAL-STUDY

被引：36

作者：

SATO, K ^{[1
]}

TOMODA, S ^{[1
]}

KIMURA, K ^{[1
]}

IWATA, S ^{[1
]}

机构：

[1] KEIO UNIV,DEPT CHEM,YOKOHAMA,KANAGAWA 223,JAPAN

来源：

CHEMICAL PHYSICS LETTERS | 1983年 / 95卷 / 06期

关键词：

D O I：

10.1016/0009-2614(83)80359-5

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：579 / 583

页数：5

共 15 条

[1] STUDIES OF MOLECULAR ASSOCIATION IN H2O AND D2O VAPORS BY MEASUREMENT OF THERMAL-CONDUCTIVITY [J].

CURTISS, LA ;

FRURIP, DJ ;

BLANDER, M .

JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (06) :2703-2711

[2]

CURTISS LA, UNPUB

[3]

Dunning T. H., 1977, MODERN THEORETICAL C, V3, P1

[4] STRUCTURE OF WATER DIMER FROM MOLECULAR-BEAM ELECTRIC RESONANCE SPECTROSCOPY [J].

DYKE, TR ;

MACK, KM ;

MUENTER, JS .

JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (02) :498-510

[5] VALENCE TYPE VACANT ORBITALS FOR CONFIGURATION-INTERACTION CALCULATIONS [J].

IWATA, S .

CHEMICAL PHYSICS LETTERS, 1981, 83 (01) :134-138

[6]

KIMURA K, 1981, HDB HEI PHOTOELECTRO, P33

[7]

LATHAN WA, 1974, PROGR PHYS ORG CHEM, V11, P175

[8] MOLECULAR PARAMETERS OF OH FREE-RADICAL [J].

MIZUSHIMA, M .

PHYSICAL REVIEW A-GENERAL PHYSICS, 1972, 5 (01) :143-+

[9] CONFIGURATION-INTERACTION CALCULATIONS OF THE VALENCE IONIZATION ENERGIES OF THE WATER DIMER [J].

MONCRIEFF, D ;

HILLIER, IH ;

SAUNDERS, VR .

CHEMICAL PHYSICS LETTERS, 1982, 89 (06) :447-449

[10] 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-+

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