Open AccessEnthalpies and Activation Energies of Several Gas Reactions by Intrinsic Reaction Coordinate (IRC) Calculations
Author(s) -
Fatih Ucun,
Neslihan ALAKUŞ
Publication year - 2022
Publication title -
el-cezeri
Language(s) - English
Resource type - Journals
ISSN - 2148-3736
DOI - 10.31202/ecjse.982555
Subject(s) - exothermic reaction , endothermic process , enthalpy , transition state , chemistry , saddle point , thermodynamics , reaction coordinate , potential energy surface , transition state theory , density functional theory , activation energy , computational chemistry , elementary reaction , saddle , standard enthalpy of formation , reaction rate constant , ab initio , physics , kinetics , quantum mechanics , adsorption , catalysis , mathematics , organic chemistry , mathematical optimization , geometry