Quantum chemical and dynamical approaches to intra and intermolecular kinetics: The CnH2nO (n = 1, 2, 3) molecules

International Journal of Quantum Chemistry

Volumn 111, Issue 7-8, 2011, Pages 1784-1791

  Elango, Munusamy ^a   MacIel, Glauciete S ^a   Lombardi, Andrea ^a   Cavalli, Simonetta ^a   Aquilanti, Vincenzo ^a  

^a UNIVERSITY OF PERUGIA   (Italy)

Author keywords

chirality; isomerization reactions; isomers; unimolecular decomposition

Indexed keywords

ALTERNATIVE PATH; AUTOMATIC SEARCHES; CHANGE MECHANISMS; CLOSED SHELLS; DECOMPOSITION MECHANISM; DYNAMICAL APPROACHES; ETHYLENE OXIDES; INTERCONVERSIONS; INTERMOLECULAR KINETICS; INTRINSIC REACTION PATHS; ISOMERIZATION REACTIONS; PROPYLENE OXIDE; QUANTUM CHEMICAL; QUANTUM-MECHANICAL TUNNELING; REACTION RATE THEORY; STABLE ISOMERS; TRANSITION STATE; UNIMOLECULAR DECOMPOSITION; VINYLALCOHOL;

ALDEHYDES; CHIRALITY; ENANTIOMERS; ETHYLENE; PROPYLENE; QUANTUM CHEMISTRY; QUANTUM THEORY; REACTION RATES; STEREOCHEMISTRY;

ISOMERIZATION;

EID: 79953250378     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22791     Document Type: Article

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