A NON-EMPIRICAL LCAO MO SCF AND EXPERIMENTAL INVESTIGATION ON THE CORE-IONIZED STATES OF ACETYLACETONE AND SOME OF ITS ENOL TAUTOMERS

被引:14
作者
CLARK, DT
HARRISON, A
机构
关键词
D O I
10.1016/0368-2048(81)85035-9
中图分类号
O433 [光谱学];
学科分类号
0703 ; 070302 ;
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页码:39 / 53
页数:15
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共 30 条
[1]   INTRAMOLECULAR HYDROGEN-BOND IN MALONALDEHYDE AS DETERMINED BY X-RAY PHOTOELECTRON-SPECTROSCOPY [J].
BROWN, RS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (16) :5497-5499
[2]  
BROWN RS, 1979, J AM CHEM SOC, V101, P3158
[3]   THEORETICAL-STUDY OF HYDROGEN-BONDING IN MALONALDEHYDE [J].
CATALAN, J ;
YANEZ, M ;
FERNANDEZALONSO, JI .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (22) :6917-6919
[4]   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
[5]   STRUCTURE AND BONDING IN DIAZOCYCLOPENTADIENE AND SOME OF ITS CORE AND VALENCE IONIZED STATES [J].
CLARK, DT ;
ADAMS, DB ;
SCANLAN, IW ;
WOOLSEY, IS .
CHEMICAL PHYSICS LETTERS, 1974, 25 (02) :263-267
[6]   THEORETICAL ASPECTS OF CORE AND VALENCE IONIZED STATES OF CO2 [J].
CLARK, DT ;
MULLER, J .
CHEMICAL PHYSICS, 1977, 23 (03) :429-436
[7]   ESCA APPLIED POLYMERS .24. THEORETICAL INVESTIGATION OF MOLECULAR CORE BINDING AND RELAXATION ENERGIES IN A SERIES OF OXYGEN-CONTAINING ORGANIC-MOLECULES OF INTEREST IN THE STUDY OF SURFACE OXIDATION OF POLYMERS [J].
CLARK, DT ;
CROMARTY, BJ ;
DILKS, A .
JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY, 1978, 16 (12) :3173-3184
[8]   NON-EMPIRICAL LCAO MO SCF INVESTIGATION OF ELECTRONIC RELAXATIONS ACCOMPANYING CORE IONIZATIONS IN SERIES X2 AND HX(X=F,CL AND BR) [J].
CLARK, DT ;
MULLER, J .
CHEMICAL PHYSICS LETTERS, 1975, 30 (03) :394-397
[9]   SOME ASPECTS OF SHAKE-UP PHENOMENA IN PYRIDINE AND PERFLUOROPYRIDINE [J].
CLARK, DT ;
ADAMS, DB .
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1975, 7 (05) :401-409
[10]   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