Theoretical studies on four-membered ring compounds with NF2, ONO2, N3, and NO2 groups

Journal of Computational Chemistry

Volumn 29, Issue 4, 2008, Pages 505-513

  Fan, Xiao Wei ^a   Ju, Xue Hai ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Bond dissociation energy; Density functional theory; Detonation pressure; Detonation velocity; Four membered ring compounds; Heats of formation; Homodesmotic reaction; Intramolecular group interaction; Isodesmic reaction; Strain energy

Indexed keywords

COMPUTATION THEORY; ELECTRONIC STRUCTURE; NITROGEN OXIDES; STRAIN ENERGY; SUBSTITUTION REACTIONS;

CYCLOBUTANE; DISPROPORTIONATION ENERGIES;

DENSITY FUNCTIONAL THEORY;

FLUORINE; NITROGEN; NITROGEN DIOXIDE; SINGLE HETEROCYCLIC RINGS;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON; HEAT;

ELECTRONS; FLUORINE; HEAT; HETEROCYCLIC COMPOUNDS, 1-RING; MODELS, CHEMICAL; MOLECULAR STRUCTURE; NITROGEN; NITROGEN DIOXIDE;

EID: 39049127992     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20809     Document Type: Article

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