NON-EMPIRICAL LCAO MO SCF INVESTIGATION OF ELECTRONIC RELAXATION ACCOMPANYING CORE IONIZATION IN A SERIES OF SATURATED ALKANES

被引：16

作者：

CLARK, DT ^{[1
]}

CROMARTY, BJ ^{[1
]}

机构：

[1] UNIV DURHAM,DEPT CHEM,DURHAM DH1 3LE,ENGLAND

来源：

CHEMICAL PHYSICS LETTERS | 1977年 / 49卷 / 01期

关键词：

D O I：

10.1016/0009-2614(77)80459-4

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：137 / 140

页数：4

共 16 条

[1] AB-INITIO CALCULATIONS OF CORE ELECTRON BINDING-ENERGIES AND SHIFTS IN HALOMETHANES
ADAMS, DB
CLARK, DT
[J]. THEORETICA CHIMICA ACTA, 1973, 31 (02): : 171 - 182
[2] ESTIMATES OF ENERGIES OF CORE EXCHANGE
ADAMS, DB
[J]. JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1976, 9 (04) : 251 - 259
[3] SOME THEORETICAL ASPECTS OF VIBRATIONAL FINE-STRUCTURE ACCOMPANYING CORE IONIZATIONS IN N2 AND CO
CLARK, DT
MULLER, J
[J]. THEORETICA CHIMICA ACTA, 1976, 41 (03): : 193 - 215
[4] NON EMPIRICAL LCAO SCF-MO INVESTIGATIONS OF ELECTRONIC REORGANIZATIONS ACCOMPANYING CORE IONIZATIONS
CLARK, DT
SCANLAN, IW
MULLER, J
[J]. THEORETICA CHIMICA ACTA, 1974, 35 (04): : 341 - 354
[5] AB-INITIO CALCULATIONS ON SOME ASPECTS OF STRUCTURE, BONDING AND REACTIVITY OF PYRIDINE, PHOSPHABENZENE AND ARSABENZENE
CLARK, DT
SCANLAN, IW
[J]. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1974, 70 (07): : 1222 - 1232
[6] CLARK DW, TO BE PUBLISHED
[7] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS
CLEMENTI, E
RAIMONDI, DL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) : 2686 - &
[8] COMPARISON OF CORE-LEVEL BINDING ENERGY SHIFTS IN MOLECULES WITH PREDICTIONS BASED ON KOOPMANS THEOREM
DAVIS, DW
HOLLANDER, JM
SHIRLEY, DA
THOMAS, TD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (06) : 3295 - +
[9] GELIUS U, 1972, FARADAY DISCUSS, V54, P257, DOI 10.1039/dc9725400257
[10] DIRECT CALCULATION OF IONIZATION ENERGIES - TRANSITION OPERATOR FOR DELTA-ESCF METHOD
GOSCINSKI, O
PICKUP, BT
PURVIS, G
[J]. CHEMICAL PHYSICS LETTERS, 1973, 22 (01) : 167 - 171

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