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机译:Accurate Calculations of Rate Constants for the Forward and Reverse H2O + CO - HCOOH Reactions
Univ Sao Paulo;
Univ Fed Espirito Santo;
Inst Tecnol Aeronaut;
Ab initio calculations; Kinetics; Quantum tunneling; Rate constants; Variational transition state theory; GASEOUS FORMIC-ACID; UNIMOLECULAR PYROLYSIS MECHANISMS; HOMOGENEOUS DECOMPOSITION; THERMAL-DECOMPOSITION; GAS-PHASE; AB-INITIO; CHANNELS; DYNAMICS; KINETICS; LASER;