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lengyan2723

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[½»Á÷] ¡¾ÇóÖú¡¿SWizard-software×öͼµÄµ¥Î»ÊÇʲô

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[ Last edited by yjcmwgk on 2010-6-9 at 19:38 ]
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lei0736(½ð±Ò+3,VIP+0):лл 9-22 08:46
loovfnd(½ð±Ò+0,VIP+0):лл²ÎÓë! 9-22 09:45
lengyan2723(½ð±Ò+1,VIP+0):2 9-22 18:03
lengyan2723(½ð±Ò+2,VIP+0): 9-22 18:03
SWizard  will  read  calculated  excitation  energies  and  oscillator  strengths  of  electronic
transitions  from  an  output  file  and  will  produce  an  ASCII  text  table  containing  the  absorption
spectrum curve in the following format:
1st column:    Energy          (10^3 cm^-1)
2nd column:    Wavelength          (nm)
3rd column:    Molar absorptivity, ¦Å      (cm^-1 L mol^-1)
4th column:    log(¦Å)      

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