Ab initio and DFT study on the electrophilic addition reaction of bromine to tetracyclo[5.3.0.02,6.03,10 ]deca-4,8-diene

Journal of Molecular Modeling

Volumn 12, Issue 6, 2006, Pages 991-995

  Abbasoglu, Rza ^a  

^a KARADENIZ TECHNICAL UNIVERSITY   (Turkey)

Author keywords

Ab initio and DFT calculations; Electrophilic addition; Hypostrophene; Intramolecular skeletal rearrangement; Parallelface to face (juxtaposed) double bonds

Indexed keywords

BROMINE; CATION; HALOGEN; HYPOSTROPHENE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ADDITION REACTION; ARTICLE; CHEMICAL BOND; CONTROLLED STUDY; CORRELATION ANALYSIS; DENSITY FUNCTIONAL THEORY; ELECTRON; GEOMETRY; ISOMERIZATION; MOLECULAR STABILITY; PRIORITY JOURNAL; QUANTUM CHEMISTRY; STEREOCHEMISTRY; STRUCTURE ANALYSIS; THERMODYNAMICS; THERMOSTABILITY;

BROMINE; HETEROCYCLIC COMPOUNDS WITH 4 OR MORE RINGS; MODELS, CHEMICAL; MODELS, MOLECULAR; THERMODYNAMICS;

EID: 33749369883     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-006-0113-3     Document Type: Article

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