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18 lines
693 B
Plaintext
18 lines
693 B
Plaintext
Visualizing the results of molecular orbital calculations
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1) MO program: gaussian, gamess, mopac, etc.
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2) display molecule in 3D: geo-opt, single-point, nomal mode (animation)
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3) density: contour plot or 3D view for electron density and MO coefficient
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Everything what you want about MO calculation can be seen.
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WWW: http://www.cmbi.kun.nl/~schaft/molden/molden.html
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By the distribution policy of the author;
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* Only the latest version is supplied.
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* Users must get the `distfiles' from the original site.
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* Do not re-distribute the source and the executable.
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* Using a not-so-latest version is prohibited, because
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the author may only respond about the latest version.
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--
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rmiya
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