MODEL CALCULATIONS OF SOLVATION OF SINGLE ATOM IONS LCAO-MO-INVESTIGATIONS OF MOLECULAR STRUCTURES .8.

被引：64

作者：

RUSSEGGE.P

SCHUSTER, P

LISCHKA, H

机构：

来源：

THEORETICA CHIMICA ACTA | 1972年 / 24卷 / 2-3期

关键词：

D O I：

10.1007/BF00641398

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：191 / +

共 16 条

[1] MOLECULAR ORBITAL STUDIES OF ION HYDRATION .1. LITHIUM, BERYLLIUM, SODIUM, AND MAGNESIUM IONS [J].

BURTON, RE ;

DALY, J .

TRANSACTIONS OF THE FARADAY SOCIETY, 1970, 66 (570) :1281-+

[2] SCF-MO-LCGO STUDIES ON HYDROGEN BONDING - WATER DIMER [J].

DIERCKSEN, GH .

THEORETICA CHIMICA ACTA, 1971, 21 (04) :335-+

[3]

Eigen M., 1963, PURE APPL CHEM, V6, P97, DOI [DOI 10.1351/PAC196306010097, 10.1351/pac196306010097]

[4] SEMIEMPIRICAL QUANTUM MECHANICAL STUDIES ON SOME HYDROGEN BONDED SYSTEMS [J].

HOYLAND, JR ;

KIER, LB .

THEORETICA CHIMICA ACTA, 1969, 15 (01) :1-+

[5]

Kollman P. A., 1970, J AM CHEM SOC, V92, P753, DOI [10.1021/ja00707a002, DOI 10.1021/JA00707A002]

[6] LCAO MO SCF calculations on the hydroation of simple ions - (LCAO MO studies on molecular structure V) [J].

Lischka, H. ;

Plesser, Th. ;

Schuster, P. .

CHEMICAL PHYSICS LETTERS, 1970, 6 (04) :263-266

[7] COMPUTATION OF FREE ENERGIES OF HYDRATION AND COORDINATION NUMBERS OF CATIONS USING EASILY AVAILABLE PARAMETERS [J].

MORF, WE ;

SIMON, W .

HELVETICA CHIMICA ACTA, 1971, 54 (03) :794-&

[8]

Morris D. F. C., 1968, IONIC RADII ENTHALPI, V4, P63

[9] HYDROGEN BONDING - A MOLECULAR ORBITAL TREATMENT BY EHT AND CNDO/2-METHODS OF METHANOL AND OF FORMIC ACID [J].

MURTHY, ASN ;

DAVIS, RE ;

RAO, CNR .

THEORETICA CHIMICA ACTA, 1969, 13 (01) :81-&

[10] THERMODYNAMICS OF ION HYDRATION AS A MEASURE OF EFFECTIVE DIELECTRIC PROPERTIES OF WATER [J].

NOYES, RM .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1962, 84 (04) :513-+

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