ANALYTIC DIPOLE-MOMENT GEOMETRIC DERIVATIVES FROM NUCLEAR ELECTRIC SHIELDING IN MOLECULES

被引：55

作者：

LAZZERETTI, P

ZANASI, R

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1986年 / 84卷 / 07期

关键词：

D O I：

10.1063/1.450101

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：3916 / 3920

页数：5

共 29 条

[1] DIPOLE-MOMENT DERIVATIVES OF H2O AND H2S [J].

AMOS, RD .

CHEMICAL PHYSICS LETTERS, 1984, 108 (02) :185-190

[2] SCF DIPOLE-MOMENT DERIVATIVES, HARMONIC FREQUENCIES AND INFRARED INTENSITIES FOR C2H2 AND C2H4 [J].

AMOS, RD .

CHEMICAL PHYSICS LETTERS, 1985, 114 (01) :10-14

[3]

BIARGE JF, 1961, AN SOC ESP FIS QUIM, V57A, P81

[4]

Buckingham A., 1967, ADV CHEM PHYS, V12, P107, DOI DOI 10.1002/9780470143582.CH2

[5] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2823-+

[6] RELATION OF THE ELECTRIC-FIELD AT A NUCLEUS TO OTHER MOLECULAR-PROPERTIES [J].

FOWLER, PW ;

BUCKINGHAM, AD .

CHEMICAL PHYSICS, 1985, 98 (02) :167-178

[7] FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES OF MOLECULES FROM PERTURBED HARTREE-FOCK CALCULATIONS .2. APPLICATIONS TO LIMITED BASIS-SET SCF-MO WAVEFUNCTIONS [J].

GERRATT, J ;

MILLS, IM .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (04) :1730-&

[8] FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES OF MOLECULES FROM PERTURBED HARTREE-FOCK CALCULATIONS .I. [J].

GERRATT, J ;

MILLS, IM .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (04) :1719-&

[9] 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

[10] AN ABINITIO STUDY OF THE NON-LINEAR OPTICAL-PROPERTIES OF THE HE ATOM AND THE H-2 MOLECULE [J].

JASZUNSKI, M ;

ROOS, BO .

MOLECULAR PHYSICS, 1984, 52 (05) :1209-1224

← 1 2 3 →