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机译:An energy interconversion principle applied in reaction dynamics for the determination of equilibrium standard states
Univ Malaya, Dept Chem, Kuala Lumpur 59100, Malaysia;
MD chemical reaction simulation; energy interconversion principle; equilibrium standard states; derivations for free energy; entropy and enthalpy; theoretical basis of free energy relations; change of shape probability distribution; THERMODYNAMIC FUNCTIONS; MOLECULAR-DYNAMICS; INTERNAL-ROTATION; KINETICS;