VISUALIZING VIBRATIONAL NORMAL-MODES ON THE MACINTOSH MICROCOMPUTER

被引:3
作者
ALLAN, DS [1 ]
SEEGER, DM [1 ]
KORZENIEWSKI, C [1 ]
机构
[1] UNIV MICHIGAN,DEPT CHEM,ANN ARBOR,MI 48109
关键词
D O I
10.1366/0003702904417689
中图分类号
TH7 [仪器、仪表];
学科分类号
0804 ; 080401 ; 081102 ;
摘要
The authors have a simple method for analyzing vibrational normal modes which result from normal coordinate analyses of molecules. The method is amenable to automation and allows pictorial representation of normal vibrations with the use of the Macintosh microcomputer and the Molecular Editor program. Two examples are given of the application of this technique to the visualization of normal modes of aniline. The first example is the relatively simple symmetric N-H stretch of the amino group.
引用
收藏
页码:1579 / 1581
页数:3
相关论文
共 5 条
  • [1] ALLINGER NL, 1990, QCMP004 CAT
  • [2] HEIMER NE, 1990, QCMP019 CAT
  • [3] MCINTOSH DF, 1990, QCMP012 CAT
  • [4] SELLERS HL, 1990, QCMP038 CAT
  • [5] SMITH A, MOL EDITOR SOFTWARE