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Accurate Calculations of Rate Constants for the Forward and Reverse H2O + CO HCOOH Reactions
Accurate Calculations of Rate Constants for the Forward and Reverse H2O + CO HCOOH Reactions
2017
R. M. Vichietti
Rene F. K. Spada
Albérico B. F. da Silva
Francisco B. C. Machado
Roberto Luiz Andrade Haiduke
Keywords:
Thermodynamics
Reaction rate constant
Quantum tunnelling
Variational transition-state theory
Ab initio quantum chemistry methods
Kinetics
Stereochemistry
Chemistry
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