title: CHIMERA: a software tool for reaction rate calculations and kinetics and thermodynamics analysis.
abstract: This article presents and overviews the CHIMERA program package, which provides a user-friendly graphical interface between quantum chemistry and chemical kinetics programs. CHIMERA facilitates calculations of rate constants for gas-phase reactions using transition state and Rice-Ramsperger-Kassel-Marcus theories. The program includes computational modules for simulation of gas-phase kinetics using simplified reactor models and for computation of chemical equilibria. The review includes a description of the theory implemented in the code, the program description, the general strategy of calculations using CHIMERA, and illustrative examples of the program application.
authors.affiliation: JSC Soft-Tec, Nakhimovskii prosp. 34, Moscow, 117218 Russia.
authors.forename: Konstantin P
authors.initials: KP
authors.lastname: Novoselov
authors.forename: Denis B
authors.initials: DB
authors.lastname: Shirabaikin
authors.forename: Stanislav Ya
authors.initials: SY
authors.lastname: Umanskii
authors.forename: Alexander S
authors.initials: AS
authors.lastname: Vladimirov
authors.forename: Airat Kh
authors.initials: AKh
authors.lastname: Minushev
authors.forename: Anatoli A
authors.initials: AA
authors.lastname: Korkin