A theoretical analysis of topography and molecular parameters of the CFCl3⋯O3 complex: Linear and bifurcate halogen-oxygen bonding interactions

International Journal of Quantum Chemistry

Volumn 111, Issue 1, 2011, Pages 111-116

  De Oliveira, Boaz Galdino ^a   De Araújo, Regiane De Cássia Maritan Ugulino ^b   Leite, Elisa Soares ^a   Ramos, Mozart Neves ^a  

^a FEDERAL UNIVERSITY OF PERNAMBUCO   (Brazil)

^b FEDERAL UNIVERSITY OF PARAÍBA   (Brazil)

Author keywords

B3LYP; chlorofluorocarbons; MP2; ozone; QTAIM

Indexed keywords

B3LYP; HYDROGEN-BONDED COMPLEXES; MOLECULAR PARAMETERS; MOLECULAR PROPERTIES; MP2; OPTIMIZED GEOMETRIES; OXYGEN BONDING; OXYGEN BONDS; QTAIM; QUANTUM THEORY OF ATOMS IN MOLECULES; TOPOLOGICAL PARAMETERS;

ARCH BRIDGES; CHLORINE; CHLOROFLUOROCARBONS; COMPLEXATION; FLUOROCARBONS; HYDROGEN BONDS; OZONE; QUANTUM THEORY; TOPOLOGY;

CHLORINE COMPOUNDS;

EID: 78249264466     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22397     Document Type: Article

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