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physics.chem-ph2006
The form of the rate constant for elementary reactions at equilibrium from MD: framework and proposals for thermokinetics
Christopher G. Jesudason
The rates or formation and concentration distributions of a dimer reaction showing hysteresis behavior are examined in an ab initio chemical reaction designed as elementary and whe…
physics.chem-ph2005
An energy interconversion principle applied in reaction dynamics for the determination of equilibrium standard states
Christopher G. Jesudason
Chemical theories involving thermodynamical equilibrium states invariably utilize statistical mechanical equilibrium density distributions. Here, a definition of heat-work transfor…
physics.chem-ph2004
The Clausius inequality: implications for nonequilibrium thermodynamic steady states with NEMD corroboration
Christopher Gunaseelan Jesudason
The Clausius inequality for closed systems was deduced from the Riemann integration of closed Carnot cycle loops for irreversible transitions. The corresponding inequalities for th…