ABINITIO SCF-MO CALCULATIONS OF POTENTIAL SURFACES OF THIOCARBONYLS .1. X1A1 AND A3A2 ELECTRONIC AND A3A2(B1) VIBRATIONAL-STATES OF F2CS

被引：21

作者：

KAPUR, A

STEER, RP

MEZEY, PG

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1978年 / 69卷 / 03期

关键词：

D O I：

10.1063/1.436649

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：968 / 975

页数：8

共 14 条

[1] AB-INITIO CALCULATIONS FOR GROUND AND LOW-LYING TRIPLET-STATES OF THIOFORMALDEHYDE [J].

BAIRD, NC ;

SWENSON, JR .

JOURNAL OF PHYSICAL CHEMISTRY, 1973, 77 (02) :277-280

[2] RELATIONSHIP BETWEEN CORRELATION ENERGIES AND SIZES - SERIES OF BERYLLIUM-LIKE AND NEON-LIKE IONS [J].

BERNARDI, F ;

MEZEY, PG ;

CSIZMADIA, IG .

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1977, 55 (12) :2417-2419

[3] 5340 A BAND SYSTEM OF THIOCARBONYL CHLORIDE [J].

BRAND, JCD ;

CALLOMON, JH ;

MOULE, DC ;

TYRRELL, J ;

GOODWIN, TH .

TRANSACTIONS OF THE FARADAY SOCIETY, 1965, 61 (515P) :2365-&

[4] NON-EMPIRICAL SCF AND CI STUDY OF GROUND AND EXCITED-STATES OF THIOFORMALDEHYDE [J].

BRUNA, PJ ;

PEYERIMHOFF, SD ;

BUENKER, RJ .

CHEMICAL PHYSICS, 1974, 3 (01) :35-53

[5] The microwave spectrum, structure and dipole moment of thiocarbonyl fluoride, F2CS [J].

Careless, A. J. ;

Kroto, H. W. ;

Landsberg, B. M. .

CHEMICAL PHYSICS, 1973, 1 (04) :371-375

[6] INVESTIGATION OF DOUBLE-MINIMUM POTENTIALS IN MOLECULES [J].

COON, JB ;

NAUGLE, NW ;

MCKENZIE, RD .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1966, 20 (02) :107-&

[7]

FARNWORTH ER, 1973, MCHEM PHYS, V1, P82

[8]

HEHRE WJ, GAUSSIAN 70 QUANTUM

[9] ELECTRONIC ABSORPTION-SPECTRUM OF THIOFORMALDEHYDE [J].

JUDGE, RH ;

KING, GW .

CANADIAN JOURNAL OF PHYSICS, 1975, 53 (19) :1927-1928

[10]

MEZEY PG, THEOR CHIM ACTA

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