AN ABINITIO STUDY OF THE SATELLITE STRUCTURE IN THE HETEROATOM CORE IONIZATION OF FURAN, PYRROLE AND THIOPHENE

被引:17
作者
DEALTI, G
DECLEVA, P
LISINI, A
机构
关键词
D O I
10.1016/0301-0104(84)85322-7
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 ;
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页码:231 / 242
页数:12
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共 36 条
[1]   CONFIGURATION-INTERACTION CALCULATIONS OF SATELLITE STRUCTURE IN PHOTO-ELECTRON SPECTRA OF H2O [J].
ARNEBERG, R ;
MULLER, J ;
MANNE, R .
CHEMICAL PHYSICS, 1982, 64 (02) :249-258
[2]   MULTIPLE EXCITATIONS IN THE CORE PHOTOELECTRON-SPECTRUM OF ACETYLENE [J].
ARNEBERG, R ;
AGREN, H ;
MALMQUIST, PA ;
SVENSSON, S .
CHEMICAL PHYSICS LETTERS, 1982, 92 (02) :125-130
[3]   SELF-CONSISTENT-FIELD WAVE FUNCTIONS FOR HOLE STATES OF SOME NE-LIKE AND AR-LIKE IONS [J].
BAGUS, PS .
PHYSICAL REVIEW, 1965, 139 (3A) :A619-&
[4]   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-&
[5]   STRUCTURE OF THIOPHENE [J].
BAK, B ;
CHRISTENSEN, D ;
HANSENNYGAARD, L ;
RASTRUPANDERSEN, J .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1961, 7 (01) :58-&
[6]   NEW ASSIGNMENT OF UV SPECTRUM OF THIOPHENE - ABINITIO CONFIGURATION INTERACTION ENERGIES AND SINGLE-CRYSTAL UV SPECTRUM [J].
BENDAZZOLI, GL ;
BERTINELLI, F ;
PALMIERI, P ;
BRILLANTE, A ;
TALIANI, C .
JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (11) :5077-5081
[7]   NON-EMPIRICAL SCF AND CI STUDY OF ELECTRONIC-SPECTRUM OF PYRROLE [J].
BUTSCHER, W ;
THUNEMANN, KH .
CHEMICAL PHYSICS LETTERS, 1978, 57 (02) :224-229
[8]   SATELLITE STRUCTURE IN X-RAY PHOTOELECTRON-SPECTRA OF GASEOUS FURAN, PYRROLE, AND THIOPHENE [J].
CHAMBERS, SA ;
THOMAS, TD .
JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (06) :2596-2603
[9]   ITERATIVE CALCULATION OF A FEW OF LOWEST EIGENVALUES AND CORRESPONDING EIGENVECTORS OF LARGE REAL-SYMMETRIC MATRICES [J].
DAVIDSON, ER .
JOURNAL OF COMPUTATIONAL PHYSICS, 1975, 17 (01) :87-94
[10]  
De Alti G., 1983, THEOCHEM, V92, P385, DOI 10.1016/0166-1280(83)87016-X