MOLSYM:: A Program on Molecular Symmetry and Group Theory

• Luis Vázquez-Vidal ^[1]
  1. [1] Departamento de Quimica Fisica, Universidad de Santiago
• Localización: Journal of chemical education, ISSN 0021-9584, Vol. 73, Nº 4 (April), 1996, págs. 321-322
• Idioma: inglés
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• Resumen

  • Molecular symmetry has become a traditional theme in structural chemistry due to its practical relevance to many other fields, such as quantum chemistry, force field analysis, and spectroscopy, among others. Although the concepts related to molecular symmetry are not particularly complex, their rigorous application often requires the use of a mathematical formalism known as "point group therapy". Program MOLSYM provides teachers, students, and researchers with tools for dealing with diverse aspects of this theory and applying them to specific examples and problems. It runs on a personal computer and has a user-friendly interface. Table data as well as graphics and help screens are available. The main topics covered are symmetry elements, symmetry operations, group properties, operation matrices, molecular structure, atom permutations and equivalences, deduction of symmetry, and construction of symmetrical structures. A copy of the program and related information is available free from the author.