Pilgrim: A thermal rate constant calculator and a chemical kinetics simulator
David Ferro‐Costas, Donald G. Truhlar, Antonio Fernández‐Ramos
Topics & Concepts
Reaction rate constantTransition state theoryChemistryAnharmonicityElementary reactionTransition stateReaction ratePhysical chemistryThermodynamicsComputational chemistryStatistical physicsPhysicsQuantum mechanicsKineticsOrganic chemistryCatalysisAdvanced Chemical Physics StudiesMolecular Junctions and NanostructuresCatalysis and Oxidation Reactions