CALCULATION OF VERTICAL ELECTRONIC-SPECTRUM OF PROPANE

被引：22

作者：

RICHARTZ, A ^{[1
]}

BUENKER, RJ ^{[1
]}

PEYERIMHOFF, SD ^{[1
]}

机构：

[1] UNIV BONN, LEHRSTUHL THEORET CHEM, D-5300 BONN 1, GERMANY

来源：

CHEMICAL PHYSICS | 1978年 / 31卷 / 02期

关键词：

D O I：

10.1016/0301-0104(78)87035-9

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：187 / 196

页数：10

共 28 条

[1] ELECTRONIC CONFUGURATIONS OF ALKANES STUDIED BY HIGH RESOLUTION PHOTOELECTRON SPECTROSCOPY [J].

BAKER, AD ;

BETTERID.D ;

KEMP, NR ;

KIRBY, RE .

JOURNAL OF MOLECULAR STRUCTURE, 1971, 8 (1-2) :75-&

[2] EXTENDED BASIS SET STUDIES OF HYDROCARBON MOLECULAR-ORBITAL ENERGIES [J].

BINKLEY, JS ;

POPLE, JA ;

HEHRE, WJ .

CHEMICAL PHYSICS LETTERS, 1975, 36 (01) :1-5

[3] CALCULATED IONIZATION POTENTIALS OF LINEAR ALKANES [J].

BRAILSFORD, DF ;

FORD, B .

MOLECULAR PHYSICS, 1970, 18 (05) :621-+

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

BUENKER, RJ ;

PEYERIMHOFF, SD .

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

[5] AB-INITIO CALCULATIONS ON ELECTRONIC-SPECTRUM OF ETHANE [J].

BUENKER, RJ ;

PEYERIMHOFF, SD .

CHEMICAL PHYSICS, 1975, 8 (1-2) :56-67

[6]

BUENKER RJ, 1974, THEOR CHIM ACTA, V35, P183

[7]

BUENKER RJ, UNPUBLISHED

[8] PHOTOIONIZATION OF ETHANE PROPANE AND ETA-BUTANE WITH MASS ANALYSIS [J].

CHUPKA, WA ;

BERKOWIT.J .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (08) :2921-&

[9] 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-+

[10] ALL-VALENCE-ELECTRON CI CALCULATIONS ON ELECTRONIC-SPECTRUM OF DIBORANE [J].

ELBERT, ST ;

PEYERIMHOFF, SD ;

BUENKER, RJ .

CHEMICAL PHYSICS, 1975, 11 (01) :25-40

← 1 2 3 →