THEORETICAL DIPOLE DERIVATIVES FOR HCN AND DCN

被引：35

作者：

LIE, GC

PEYERIMHOFF, SD

BUENKER, RJ

机构：

[1] UNIV BONN,LEHRSTUHL THEORET CHEM,D-5300 BONN 1,FED REP GER

[2] UNIV GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL,FED REP GER

来源：

JOURNAL OF CHEMICAL PHYSICS | 1981年 / 75卷 / 06期

关键词：

D O I：

10.1063/1.442363

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：2892 / 2898

页数：7

共 27 条

[1] SIGN ANOMALY IN EXPERIMENTAL AND THEORETICAL DIPOLE-MOMENT DERIVATIVE OF HCN [J].

BASSI, ABMS .

JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (12) :5667-5668

[2] OBSERVATION OF PI-STARK COMPONENTS IN MICROWAVE SPECTROSCOPY - PRECISION MEASUREMENTS ON HCN [J].

BHATTACHARYA, BN ;

GORDY, W .

PHYSICAL REVIEW, 1960, 119 (01) :144-149

[3] EXPERIMENTAL-DETERMINATION OF RELATIVE SIGNS OF DIPOLE-MOMENT DERIVATIVES - HCN AND DCN [J].

BRUNS, RE ;

DEBARROSNETO, B .

JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (03) :847-851

[4] CALCULATED DIPOLE-MOMENT FUNCTIONS AND INFRARED INTENSITIES OF HCN AND N2O [J].

BRUNS, RE ;

PERSON, WB .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (04) :1413-+

[5] INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION [J].

BUENKER, RJ ;

PEYERIMH.SD .

THEORETICA CHIMICA ACTA, 1974, 35 (01) :33-58

[6] ENERGY EXTRAPOLATION IN CI CALCULATIONS [J].

BUENKER, RJ ;

PEYERIMHOFF, SD .

THEORETICA CHIMICA ACTA, 1975, 39 (03) :217-228

[7] APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES [J].

BUENKER, RJ ;

PEYERIMHOFF, SD ;

BUTSCHER, W .

MOLECULAR PHYSICS, 1978, 35 (03) :771-791

[8] 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-+

[9] SELF-BROADENING IN THE 14-MU BAND OF HCN [J].

FOLEY, HM .

PHYSICAL REVIEW, 1946, 69 (11-1) :628-631

[10] FINITE-FIELD METHOD CALCULATIONS .4. HIGHER-ORDER MOMENTS, DIPOLE-MOMENT GRADIENTS, POLARIZABILITY GRADIENTS AND FIELD-INDUCED SHIFTS IN MOLECULAR-PROPERTIES - APPLICATION TO N2, CO, CN-, HCN AND HNC [J].

GREADY, JE ;

BACSKAY, GB ;

HUSH, NS .

CHEMICAL PHYSICS, 1978, 31 (03) :467-483

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