ORBITAL RELAXATION ACCOMPANYING CORE IONIZATION IN FORMALDEHYDE

被引:9
作者
CLARK, DT [1 ]
COLLING, L [1 ]
机构
[1] UNIV DURHAM,DEPT CHEM,DURHAM DH1 3LE,ENGLAND
关键词
D O I
10.1016/0368-2048(77)85086-X
中图分类号
O433 [光谱学];
学科分类号
0703 ; 070302 ;
摘要
引用
收藏
页码:343 / 349
页数:7
相关论文
共 14 条
[1]  
BAGUS PS, 1965, PHYS REV A, V139, P619
[2]   THEORETICAL INVESTIGATION OF ELECTRONIC REORGANIZATIONS ACCOMPANYING CORE AND VALENCE IONIZATION IN SIMPLE HYDROGEN-BONDED SYSTEMS [J].
CLARK, DT ;
CROMARTY, BJ .
THEORETICA CHIMICA ACTA, 1977, 44 (02) :181-199
[3]   SOME THEORETICAL ASPECTS OF VIBRATIONAL FINE-STRUCTURE ACCOMPANYING CORE IONIZATIONS IN N2 AND CO [J].
CLARK, DT ;
MULLER, J .
THEORETICA CHIMICA ACTA, 1976, 41 (03) :193-215
[4]   NON EMPIRICAL LCAO SCF-MO INVESTIGATIONS OF ELECTRONIC REORGANIZATIONS ACCOMPANYING CORE IONIZATIONS [J].
CLARK, DT ;
SCANLAN, IW ;
MULLER, 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 [J].
CLARK, DT ;
SCANLAN, IW .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1974, 70 (07) :1222-1232
[6]   NON-EMPIRICAL LCAO MO SCF INVESTIGATION OF ELECTRONIC RELAXATION ACCOMPANYING CORE IONIZATION IN A SERIES OF SATURATED ALKANES [J].
CLARK, DT ;
CROMARTY, BJ .
CHEMICAL PHYSICS LETTERS, 1977, 49 (01) :137-140
[7]   ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J].
CLEMENTI, E ;
RAIMONDI, DL .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2686-&
[8]   MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .14. EQUILIBRIUM GEOMETRIES AND ENERGIES OF LOW-LYING EXCITED-STATES [J].
DITCHFIE.R ;
DELBENE, J ;
POPLE, JA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (14) :4806-&
[10]   BINDING-ENERGIES AND CHEMICAL-SHIFTS IN ESCA [J].
GELIUS, U .
PHYSICA SCRIPTA, 1974, 9 (03) :133-147