Green's function study of the one-electron and shake-up ionization spectra of unsaturated hydrocarbon cage compounds

Journal of Computational Chemistry

Volumn 27, Issue 14, 2006, Pages 1703-1722

  Knippenberg, S ^a   Francois J P ^a   Deleuze, M S ^a  

^a HASSELT UNIVERSITY   (Belgium)

Author keywords

Ionization; Orbital; Relaxation; Shake up; Through bond conjugation

Indexed keywords

ALGEBRA; COMPUTATIONAL METHODS; CYCLIC LOADS; GREEN'S FUNCTION; IONIZATION; ULTRAVIOLET RADIATION;

ORBITAL; RELAXATION; SHAKE-UP; THROUGH-BOND Π-CONJUGATION;

UNSATURATED COMPOUNDS;

ALKENE; BICYCLO COMPOUND; BICYCLO(2.2.1)HEPTANE 2,5 DIONE; BICYCLO(2.2.1)HEPTANE-2,5-DIONE; BICYCLO(2.2.2)OCTANE 2,5 DIONE; BICYCLO(2.2.2)OCTANE-2,5-DIONE; BRIDGED COMPOUND; KETONE; STELLA 2,6 DIENE; STELLA 2,6 DIONE; STELLA-2,6-DIENE; STELLA-2,6-DIONE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ELECTRON; ELECTROSPRAY MASS SPECTROMETRY; METHODOLOGY; QUANTUM THEORY; SENSITIVITY AND SPECIFICITY;

ALKENES; BICYCLO COMPOUNDS; BRIDGED COMPOUNDS; COMPUTER SIMULATION; ELECTRONS; KETONES; MOLECULAR STRUCTURE; QUANTUM THEORY; SENSITIVITY AND SPECIFICITY; SPECTROMETRY, MASS, ELECTROSPRAY IONIZATION;

EID: 33748711058     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20461     Document Type: Article

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