ELECTRONIC-STRUCTURE OF MOLECULES BY A MANY-BODY APPROACH III. IONIZATION-POTENTIALS AND ONE-ELECTRON PROPERTIES OF FURAN AND THIOPHENE

被引:78
作者
VON NIESSEN, W
KRAEMER, WP
CEDERBAUM, LS
机构
[1] TECH UNIV MUNCHEN, LEHRSTUHL THEORET CHEM, D-8000 MUNCHEN 2, BUNDES REPUBLIK
[2] MAX PLANCK INST PHYS & ASTROPHYS, D-8000 MUNCHEN 40, BUNDES REPUBLIK
[3] TECH UNIV MUNCHEN, DEPT PHYS, D-8000 MUNCHEN 2, BUNDES REPUBLIK
关键词
D O I
10.1016/0368-2048(76)81004-3
中图分类号
O433 [光谱学];
学科分类号
0703 ; 070302 ;
摘要
引用
收藏
页码:179 / 197
页数:19
相关论文
共 86 条
[1]   MICROWAVE SPECTRA OF THIOPHENE, 2-MONODEUTERO AND 3-MONODEUTERO, 3,3'-DIDEUTERO, AND TETRADEUTEROTHIOPHENE - STRUCTURE OF THE THIOPHENE MOLECULE [J].
BAK, B ;
CHRISTENSEN, D ;
RASTRUPANDERSEN, J ;
TANNENBAUM, E .
JOURNAL OF CHEMICAL PHYSICS, 1956, 25 (05) :892-896
[2]   COMPLETE STRUCTURE OF FURAN [J].
BAK, B ;
CHRISTENSEN, D ;
HANSENNYGAARD, L ;
DIXON, WB ;
SCHOTTLANDER, M ;
RASTRUPANDERSEN, J .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1962, 9 (02) :124-&
[3]   STRUCTURE OF THIOPHENE [J].
BAK, B ;
CHRISTENSEN, D ;
HANSENNYGAARD, L ;
RASTRUPANDERSEN, J .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1961, 7 (01) :58-&
[4]  
BAK B, 1955, DISCUSS FARADAY SOC, P30
[6]   CALCULATION OF HYPERFINE CONSTANTS FOR B11 ANDABSOLUTE TRANSITION PROBABILITIES IN ODD-ODD N 017 [J].
BESSIS, N ;
MOSER, CM ;
LEFEBVREBRION, H .
PHYSICAL REVIEW, 1962, 128 (01) :213-&
[7]   BONDING CONTRIBUTION OF SULFUR D ORBITALS IN THIOPHENE . AN EXTENSION OF SELF-CONSISTENT FIELD MOLECULAR ORBITAL METHOD [J].
BIELEFEL.MJ ;
FITTS, DD .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1966, 88 (21) :4804-&
[8]   THEORETICAL STUDIES ON ELECTRONIC SPECTRA OF SUBSTITUTED AROMATIC MOLECULES .4. PPP-SCF PARAMETERS FOR POLYSUBSTITUTED BENZENES AND 5-MEMBERED RING HETEROCYCLICS CONTAINING NITROGEN OXYGEN AND SULFUR [J].
BILLINGSLEY, FP ;
BLOOR, JE .
THEORETICA CHIMICA ACTA, 1968, 11 (04) :325-+
[9]  
BOYS SF, 1966, QUANTUM THEORY ATOMS, P253
[10]   DIRECT CALCULATION OF IONIZATION-POTENTIALS OF ATOMS AND MOLECULES - APPLICATION TO NE [J].
CEDERBAUM, LS ;
VON NIESSEN, W .
CHEMICAL PHYSICS LETTERS, 1974, 24 (02) :263-266