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QCMP118. VIBMOL:Graphic Visualization of Molecular
Vibrations in the Harmonic Approximation
by Riccardo Zanasi, Department of Chemistry, University of Modena, via Campi 183, 41100 Modena, Italy VIBMOL permits the graphic visualization of the normal vibrational modes of molecules computed by standard quantum chemistry programs such as GAUSSIAN 901 and GAMESS2. It reads data from the standard output file of such programs when used to produce the vibrational analysis of a molecule. Each normal mode is displayed as a vibrating molecular skeleton. VIBMOL runs on an IBM PC/XT/AT (286, 385, 486) or compatible and it requires VGA graphics. _________ References: 1. GAUSSIAN 90 (Revision I), M. J. Frisch, M. Head- Gordon, G. W. Trucks, J. B. Foresman, H. B. Schlegel, K. Raghaavachari, M. Robb, J. S. Binkley, C. Gonzalez, D. J. Defrees, D. J. Fox. R. A. Whiteside, R. Seeger, C. F. Melius, J. Baker, R. L. Martin, L. R. Kahn, J.J.P. Stewart, S. Topiol, and J. A. Pople, GAUSSIAN, Inc., Pittsburgh PA, 1990. 2. M. Dupuis, D. Spangler, J. J. Wendoloski, NRCC, University of California, QG01, 1980; we used the GAMESS Version 12 Nov. 1990, as described by M. W. Schmidt, K. K. Baldridge, J. A. Boatz, J. H. Jensen, S. Koseki, M. S. Gordon, K. A. Nguyen, T. L. Windus, S. T. Elbert, QCPE Bulletin, 10, 52-54 (1990). Lines of Code: 479 Microsoft QuickBASIC 4.5/MS-DOS 5.0 |