ALTERNATIVE FORMALISM FOR THE CALCULATION OF ATOMIC POLAR TENSORS AND ATOMIC AXIAL TENSORS

被引：51

作者：

AMOS, RD ^{[1
]}

JALKANEN, KJ ^{[1
]}

STEPHENS, PJ ^{[1
]}

机构：

[1] UNIV SO CALIF,DEPT CHEM,LOS ANGELES,CA 90089

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1988年 / 92卷 / 20期

关键词：

D O I：

10.1021/j100331a009

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：5571 / 5575

页数：5

共 18 条

[1]

Amos R. D., 1987, ADV CHEM PHYS, V67, P99

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[3] EFFICIENT CALCULATION OF VIBRATIONAL MAGNETIC DIPOLE TRANSITION MOMENTS AND ROTATIONAL STRENGTHS [J].

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HANDY, NC ;

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STEPHENS, PJ .

CHEMICAL PHYSICS LETTERS, 1987, 133 (01) :21-26

[4]

AMOS RD, 1984, CCP1844 SERC DAR LAB

[5] VELOCITY-DEPENDENT PROPERTY SURFACES AND THE THEORY OF VIBRATIONAL CIRCULAR-DICHROISM [J].

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[6] THEORY OF VIBRATIONAL CIRCULAR-DICHROISM - TRANS-1(S),2(S)-DICYANOCYCLOPROPANE [J].

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STEPHENS, PJ ;

AMOS, RD ;

HANDY, NC .

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[7] GAUGE DEPENDENCE OF VIBRATIONAL ROTATIONAL STRENGTHS - NHDT [J].

JALKANEN, KJ ;

STEPHENS, PJ ;

AMOS, RD ;

HANDY, NC .

JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (07) :1781-1785

[8] BASIS SET DEPENDENCE OF ABINITIO PREDICTIONS OF VIBRATIONAL ROTATIONAL STRENGTHS - NHDT [J].

JALKANEN, KJ ;

STEPHENS, PJ ;

AMOS, RD ;

HANDY, NC .

CHEMICAL PHYSICS LETTERS, 1987, 142 (3-4) :153-158

[9] THEORY OF VIBRATIONAL CIRCULAR-DICHROISM - TRANS-2,3-DIDEUTERIOOXIRANE [J].

JALKANEN, KJ ;

STEPHENS, PJ ;

AMOS, RD ;

HANDY, NC .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1988, 110 (06) :2012-2013

[10]

JALKANEN KJ, UNPUB

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