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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.
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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
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