ABINITIO COUNTERPART OF INFRARED ATOMIC CHARGES - COMPARISON WITH CHARGES OBTAINED FROM ELECTROSTATIC POTENTIALS

被引：34

作者：

RAMOS, MN

GUSSONI, M

CASTIGLIONI, C

ZERBI, G

机构：

[1] POLITECN MILAN,DIPARTIMENTO INGN CHIM & CHIM IND,I-20133 MILAN,ITALY

[2] CNR,IST CHIM FIS MAT,I-16121 GENOA,ITALY

来源：

CHEMICAL PHYSICS LETTERS | 1988年 / 151卷 / 4-5期

关键词：

D O I：

10.1016/0009-2614(88)85156-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：397 / 402

页数：6

共 15 条

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[2]

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[3]

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FRANCL, MM .

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[5] REPRESENTATION OF THE MOLECULAR ELECTROSTATIC POTENTIAL BY A NET ATOMIC CHARGE MODEL [J].

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[6] ABINITIO COUNTERPART OF INFRARED ATOMIC CHARGES [J].

GUSSONI, M ;

RAMOS, MN ;

CASTIGLIONI, C ;

ZERBI, G .

CHEMICAL PHYSICS LETTERS, 1987, 142 (06) :515-518

[7] PHYSICAL MEANING OF ELECTROOPTICAL PARAMETERS DERIVED FROM INFRARED INTENSITIES [J].

GUSSONI, M ;

CASTIGLIONI, C ;

ZERBI, G .

JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (03) :600-604

[8] CHARGE-DISTRIBUTION FROM INFRARED INTENSITIES - CHARGES ON HYDROGEN-ATOMS AND HYDROGEN-BOND [J].

GUSSONI, M ;

CASTIGLIONI, C ;

ZERBI, G .

JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (04) :1377-1381

[9]

GUSSONI M, 1984, J MOL STRUCT, V115, P303

[10]

JULG A, 1975, TOPICS CURRENTS CHEM, V58, P1

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