blob: 0ac42f34873a09f89961c2090d56021cd24b315f (
plain) (
blame)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
|
Visualizing the results of molecular orbital calculations
1) MO program: gaussian, gamess, mopac, etc.
2) display molecule in 3D: geo-opt, single-point, nomal mode (animation)
3) density: contour plot or 3D view for electron density and MO coefficient
Everything what you want about MO calculation can be seen.
WWW: http://www.cmbi.kun.nl/~schaft/molden/molden.html
By the distribution policy of the author;
* Only the latest version is supplied.
* Users must get the `distfiles' from the original site.
* Do not re-distribute the source and the executable.
* Using a not-so-latest version is prohibited, because
the author may only respond about the latest version.
--
rmiya
|