The form of the rate constant for elementary reactions at equilibrium from MD: framework and proposals for thermokinetics

DOI10.1007/s10910-007-9320-0zbMath1152.92034arXivphysics/0608073MaRDI QIDQ937645

Christopher Gunaseelan Jesudason

Publication date: 15 August 2008

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/physics/0608073

zbMATH Keywords

activity and reactivity coefficients; elementary and ionic reactions without pre-equilibrium; elementary reaction rate constant

Mathematics Subject Classification ID

92E20: Classical flows, reactions, etc. in chemistry

80A30: Chemical kinetics in thermodynamics and heat transfer

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Overview of some results in my thermodynamics, quantum mechanics, and molecular dynamics simulations research, I. Numerical nonlinear analysis: Differential methods and optimization applied to chemical reaction rate determination, Numerical reduced variable optimization methods via implicit functional dependence with applications

Cites Work

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