Ab initio and DFT study on the electrophilic addition of bromine to endo-tricyclo[3.2.1.02,4]oct-6-ene

Journal of Molecular Modeling

Volumn 12, Issue 3, 2006, Pages 290-296

  Abbasoglu, Rza ^a   Yilmaz, Sevil Savaskan ^a  

^a KARADENIZ TECHNICAL UNIVERSITY   (Turkey)

Author keywords

Ab initio and DFT calculations; Endo tricyclo 3.2.1.02,4 oct 6 ene; Molecular complexes; Nonclassical cation; Pyramidalization

Indexed keywords

ALKENE DERIVATIVE; BROMINE; CATION; TRICYCLO[3.2.1.0 2,4]OCT 6 ENE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CHEMICAL REACTION; CHEMICAL STRUCTURE; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; ELECTRON; GEOMETRY; PRIORITY JOURNAL; PROCESS OPTIMIZATION; STEREOSPECIFICITY; STRUCTURE ANALYSIS;

BROMINE; CATIONS; COMPUTATIONAL BIOLOGY; ELECTRONS; ELECTROSTATICS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; POLYCYCLIC COMPOUNDS; STATIC ELECTRICITY;

EID: 33644767171     PISSN: 16102940     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00894-005-0031-9     Document Type: Article

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