openthermo

We have hosted the application openthermo in order to run this application in our online workstations with Wine or directly.

Quick description about openthermo:

OpenThermo is a program package for statistical thermodynamics computations beyond rigid rotor - harmonic oscillator approximation.

Features:

• Evaluation of thermodynamic properties from molecular data
• Automatic symmetry analysis for molecule and internal rotors
• Verbose log file makes thermodynamic calculation more transparent
• Treatment of internal rotations in quantum or classic approaches
• Calculation of reduced inertial moments of balanced and non-balanced internal rotors
• Automatic Fourier interpolation of discreetly defined potential bariers
• Calculations with anharmonic correction

Audience: Education, End Users/Desktop, Science/Research.
User interface: Command-line, Console/Terminal.
Programming Language: C++.

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