LOW-LYING ELECTRONIC STATES OF NITROSYL CYANIDE (NCNO) - AN ABINITIO MCHF STUDY

被引：11

作者：

DUPUIS, M

LESTER, WA

机构：

[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720

[2] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720

来源：

JOURNAL OF CHEMICAL PHYSICS | 1985年 / 83卷 / 08期

关键词：

D O I：

10.1063/1.449112

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：3990 / 3994

页数：5

共 18 条

[1] INFRARED-SPECTRA OF NITROSYL CYANIDE AND 8 ISOTOPICALLY SUBSTITUTED SPECIES - GENERAL HARMONIC FORCE-FIELD DETERMINED FROM EXPERIMENTAL-DATA AND AB-INITIO CALCULATIONS [J].

BAK, B ;

NICOLAISEN, FM ;

NIELSEN, OJ ;

SKAARUP, S .

JOURNAL OF MOLECULAR STRUCTURE, 1979, 51 (01) :17-26

[2] ABINITIO CALCULATIONS OF A' AND A'' STATES OF NITROSYL CYANIDE [J].

BELL, S .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1981, 77 :321-328

[3] MULTICONFIGURATION SELF-CONSISTENT-FIELD CALCULATION OF DIPOLE-MOMENT FUNCTION AND POTENTIAL CURVE OF NO(CHI-2 PI) [J].

BILLINGSLEY, FP .

JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (03) :864-874

[4]

BJORKMAN C, 1982, J CHEM PHYS, V76, P3111, DOI 10.1063/1.443353

[5] STABILITY OF NCNO AND ITS DISSOCIATION INTO CN AND NO RADICALS AS TREATED BY ABINITIO METHODS [J].

BJORKMAN, C ;

JOHANSEN, H ;

BAK, B ;

ROOS, B .

CHEMICAL PHYSICS, 1977, 24 (03) :355-366

[6] STUDY OF NITROSYL CYANIDE BY MICROWAVE SPECTROSCOPY [J].

DICKINSON, R ;

KIRBY, GW ;

SWEENY, JG ;

TYLER, JK .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1978, 74 :1393-1402

[7] VAPOR-PHASE INFRARED-SPECTRUM OF NITROSYL CYANIDE [J].

DORKO, EA ;

BUELOW, L .

JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (05) :1869-1872

[8]

Dunning Jr T. H., 1976, MODERN THEORETICAL C

[9]

DUPUIS M, UNPUB

[10] ELECTRONIC-STRUCTURE OF NITROGEN-DIOXIDE .1. MULTICONFIGURATION SELF-CONSISTENT-FIELD CALCULATION OF LOW-LYING ELECTRONIC STATES [J].

GILLISPIE, GD ;

KHAN, AU ;

WAHL, AC ;

HOSTENY, RP ;

KRAUSS, M .

JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (08) :3425-3444

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