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2 Numerical Algorithms for Differential Equations
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absorption activation energy adsorbed approximation atoms average barrier beam bond calculations chapter Chem Chemical Kinetics chemical reaction chemisorption Chemistry classical collision complex concentration consider cross section curve degrees of freedom density derived determined differential equations discussed dissociation distribution Dynamics electronic equilibrium example excited experimental first-order gas phase given by equation infrared initial integral interaction ions kJ/mole Laplace transform laser linear master equation measurements method molecular molecules motion obtain ozone parameters partition function Phys plot potential energy surface pressure probability rate coefficient rate constant rate equations rate expression reac reactant reaction coordinate reaction path reactive rotational energy RRKM RRKM theory scattering shown in Figure solution solve solvent species statistical steady-state steady-state approximation step techniques temperature thermal tion trajectory transition state theory unimolecular unimolecular rate unimolecular reaction velocity vibrational energy vibrational frequencies York zero