Theoretical study of the chemiluminescent decomposition of dioxetanone

Journal of the American Chemical Society

Volumn 131, Issue 17, 2009, Pages 6181-6188

  Liu, Fengyi ^a   Liu, Yajun ^b   De Vico, Luca ^a,c   Lindh, Roland ^a  

^a LUND UNIVERSITY   (Sweden)

^b BEIJING NORMAL UNIVERSITY   (China)

^c UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

BIRADICAL STRUCTURES; CLOSE PROXIMITY; CLOSE-IN; COMPLETE ACTIVE SPACE SELF-CONSISTENT FIELDS; CONICAL INTERSECTION; ENERGY CORRECTION; MULTI STATE; PERTURBATION THEORY; PLANAR STRUCTURE; REACTION PATHS; SECOND ORDERS; THEORETICAL STUDY; TRANSITION STATE; UNIMOLECULAR; VIBRATIONAL DISTRIBUTION;

CHEMILUMINESCENCE; DISSOCIATION; LIGHT EMISSION; PERTURBATION TECHNIQUES; POSITIVE IONS;

INTERSECTIONS;

CARBON; DIOXETANONE; OXETANE DERIVATIVE; OXYGEN; UNCLASSIFIED DRUG; SINGLE HETEROCYCLIC RINGS;

ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL REACTION; CHEMOLUMINESCENCE; CRYSTAL STRUCTURE; DECOMPOSITION; DISSOCIATION; ENERGY TRANSFER; GAS CHROMATOGRAPHY; MOLECULAR STABILITY; PHASE TRANSITION; SYNTHESIS; THEORETICAL STUDY; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; LUMINESCENCE; METHODOLOGY; QUANTUM THEORY;

CHEMILUMINESCENT MEASUREMENTS; COMPUTER SIMULATION; HETEROCYCLIC COMPOUNDS, 1-RING; LUMINESCENCE; MODELS, CHEMICAL; MOLECULAR CONFORMATION; QUANTUM THEORY;

EID: 70249103205     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja808511t     Document Type: Article

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