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Volumn 184, Issue 8, 2013, Pages 2032-2033
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MSTor version 2013: A new version of the computer code for the multi-structural torsional anharmonicity, now with a coupled torsional potential
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Author keywords
Anharmonicity; Molecular vibrations; Thermochemistry; Torsions
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Indexed keywords
CODES (SYMBOLS);
COMPUTATION THEORY;
COMPUTATIONAL GEOMETRY;
COMPUTER OPERATING SYSTEMS;
COMPUTER SOFTWARE;
CONFORMATIONS;
EIGENVALUES AND EIGENFUNCTIONS;
FORTRAN (PROGRAMMING LANGUAGE);
IODINE;
MATRIX ALGEBRA;
MOLECULAR PHYSICS;
MOLECULAR VIBRATIONS;
MOLECULES;
MONTE CARLO METHODS;
MULTICORE PROGRAMMING;
ONE DIMENSIONAL;
PHYSICAL CHEMISTRY;
POINT GROUPS;
PROBLEM ORIENTED LANGUAGES;
RANDOM ACCESS STORAGE;
SOFTWARE PACKAGES;
SOFTWARE TESTING;
THERMOCHEMISTRY;
TORSIONAL STRESS;
URANIUM;
UTILITY PROGRAMS;
VIBRATIONS (MECHANICAL);
ANHARMONICITIES;
CATALOGUE IDENTIFIERS;
CONFORMATIONAL STRUCTURES;
LOCAL HARMONIC APPROXIMATION;
QUANTUM THERMOCHEMISTRY;
THERMOCHEMICAL CALCULATIONS;
THERMODYNAMIC FUNCTIONS;
TORSIONAL ANHARMONICITY;
C (PROGRAMMING LANGUAGE);
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EID: 84876290611
PISSN: 00104655
EISSN: None
Source Type: Journal
DOI: 10.1016/j.cpc.2013.03.011 Document Type: Article |
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Times cited : (108)
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References (0)
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