O ( 3P) + CH 3SH reactions: Structures, energetics, and kinetics

International Journal of Quantum Chemistry

Volumn 112, Issue 19, 2012, Pages 3269-3275

  Cardoso, Daniely Verônica Viana ^a   De Araújo Ferrão, Luiz Fernando ^a   Spada, Rene Felipe Keidel ^a   Roberto Neto, Orlando ^b   MacHado, Francisco Bolivar Correto ^a  

^a INSTITUTO TECNOLÓGICO DE AERONÁUTICA   (Brazil)

^b Instituto de Estudos Avancados   (Brazil)

Author keywords

kinetics; methanethiol; thermochemistry

Indexed keywords

ADIABATIC BARRIER; BARRIER HEIGHTS; BASIS SETS; BEST ESTIMATES; BRANCHING RATIO; CCSD; COMPLETE BASIS SET LIMIT; DIRECT DYNAMICS; HYDROGEN ABSTRACTION; METHANETHIOL; PERTURBATION THEORY; REACTION ENTHALPIES; REACTION PATHS; REACTION SYSTEM; SECOND ORDERS; SH GROUPS; SINGLE POINT; SINGLE-POINT ENERGY; THERMAL RATE CONSTANT; VARIATIONAL TRANSITION STATE THEORY;

ABSTRACTING; ENZYME KINETICS; HYDROGEN; THERMOCHEMISTRY;

RATE CONSTANTS;

EID: 84865499319     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.24234     Document Type: Article

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