CCL:G: Last release of KiSThelP program



 Sent to CCL by: "Eric  HENON" [ricouhenon__gmail.com]
 Dear all,
 we are pleased to announce the release Kisthelp2019.
 KiSThelP is a cross-platform free open-source program developed to estimate
 thermodynamic
 and kinetic properties from electronic structure data. To date, five
 computational chemistry
 software formats are supported (Gaussian, GAMESS, NWChem, ORCA, MOLPRO).
 Some key features are:
 - gas-phase molecular thermodynamic properties (offering hindered rotor
 treatment)
 - thermal equilibrium constants
 - transition state theory rate coefficients (TST, VTST) including
 one-dimensional tunnelling
 effects (Wigner and Eckart)
 - RRKM rate constants, for elementary reactions with well-defined barriers.
 For information, please visit:
 http://kisthelp.univ-reims.fr
 KiSThelP is intended as a working tool both for the general public and also for
 more expert
 users. It provides graphical front-end capabilities designed to facilitate
 calculations and
 interpreting results. KiSThelP enables to change input data and simulation
 parameters directly
 through the GUI and to visually probe how it affects results. Users can access
 results in the
 form of graphs and tables.
 The graphical tool offers customizing of 2D-plots, exporting images
 and data files. These features make this program also well suited to support and
 enhance
 students learning and can serve as a very attractive courseware, taking the
 teaching content
 directly from results in molecular and kinetic modelling.
 Kindest regards,
 --
 The KiSThelP developement team.