OpenThermo is a program package for statistical thermodynamics computations beyond rigid rotor - harmonic oscillator approximation
Features:
- Evaluation of thermodynamic properties from molecular data
- Treatment of rotations as free or hindered in quantum or classic approaches
- Automatic symmetry analysis for molecule and internal rotors
- Automatic Fourier interpolation of discreetly defined potential bariers
- Calculations with anharmonic correction
- Verbose log file makes thermodynamic calculation more transparent
Release Date:
2009-07-25
Topic:
Operating System:
All 32-bit MS Windows (95/98/NT/2000/XP),
All POSIX (Linux/BSD/UNIX-like OSes),
OS Portable (Source code to work with many OS platforms)
All POSIX (Linux/BSD/UNIX-like OSes),
OS Portable (Source code to work with many OS platforms)
License:
Intended Audience:
User Interface:
Programming Language:
Registered:
2008-05-21
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