The ground and excited states of polyenyl radicals C2n-1,H 2n+1 (n = 2-13): A valence bond study

ChemPhysChem

Volumn 5, Issue 4, 2004, Pages 515-528

  Luo, Yan ^a   Song, Lingchun ^a   Wu, Wei ^a   Danovich, David ^b   Shaik, Sason ^b  

^a XIAMEN UNIVERSITY   (China)

^b HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

Excited states; Radicals; Semiempirical calculation; Solitons; Valence bond theory

Indexed keywords

CHEMICAL BONDS; GROUND STATE; MOLECULAR ORBITALS; SOLITONS;

NEUTRAL SOLITONS; POLYENYL RADICAL; RADICALS; SEMI-EMPIRICAL; SEMI-EMPIRICAL CALCULATION; SPIN DENSITIES; UNPAIRED ELECTRONS; VALENCE BOND THEORY;

EXCITED STATES;

POLYENE; POLYENYL RADICAL; RADICAL; UNCLASSIFIED DRUG;

ACCELERATION; ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; DENSITY; ELECTRON; EMPIRICISM; ENERGY; GEOMETRY; STRUCTURE ANALYSIS;

EID: 2442591545     PISSN: 14394235     EISSN: None     Source Type: Journal    
DOI: 10.1002/cphc.200300935     Document Type: Article

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