338 Database entries


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Khimera Capabilities:

Calculations of rate constants for a wide range of elementary reactions using a variety of present-day theoretical methods
Molecular data are imported directly from output files of popular Quantum Chemistry codes, including Gaussian, Jaguar, GAMESS
Integrated Database of kinetic and thermodynamic parameters for a great number of substances, reactions, and chemical mechanisms
Postprocessing module and program interface to Chemical Workbench for kinetic mechanism testing and validation.

Khimera Allows to Calculate:

Thermodynamic properties of gas-phase substances:

Heat capacity
Enthalpy of formation

Transport properties of multicomponent gas mixtures:

Heat conductivity
Diffusion coefficients

Rate constants of elementary processes:

Thermal chemical reactions in the gas phase
Heterogeneous reactions at the gassurface interface
Vibrational and electronic energy exchange in gases
Photoexcitation and photodissociation processes
Plasma chemical processes involving electrons
Ion-molecular reactions

Link: http://www.kintechlab.com/products/khimera/