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anmin0127

ÖÁ×ðľ³æ (ÖªÃû×÷¼Ò)

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2Â¥: Originally posted by pigrass at 2013-06-24 16:20:41
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anmin0127: ½ð±Ò+3, ¡ï¡ï¡ïºÜÓаïÖú 2013-06-25 14:09:35
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3Â¥: Originally posted by anmin0127 at 2013-06-24 19:37:43
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Setting up a UV-Vis calculation
1. Choose Modules | VAMP | Calculationfrom the menu bar to display the VAMP Calculation dialog.
2. Select the Propertiestab.
3. Check the UV-Vischeckbox.
4. Ensure that you have selected a configuration interaction treatment, i.e., CI typeon the Electronic tabis notset to None.
5. Ensure that you have specified a sufficient number of orbitals to include in the configuration interactioncalculation on the
VAMP Electronic Options dialog.
When the calculation is complete, you can use the Electronic levelsoptions on the VAMP Analysis dialog to view excitation
data for the electronic states of the structure being studied and generate its UV-Vis spectrum.
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4Â¥2013-06-25 10:56:15
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anmin0127

ÖÁ×ðľ³æ (ÖªÃû×÷¼Ò)

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4Â¥: Originally posted by pigrass at 2013-06-25 10:56:15
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