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xieqingsky

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Originally posted by wxjbuilder at 2008-6-23 18:24:
Óùؼü´ÊVolumeËãһϣ¬¾ßÌ忴һϸß˹ÊÖ²á

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wxjbuilder

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blackwind

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try this:
%Chk=unstandard.chk
#b3lyp/6-311g scrf=(PCM,read)

titile

0 1
geometry input

EPS=37.5  (this is dielectric constant of the solvent you will use)
RSOLV=3.49 ( this is solvent radius in Angstroms)
TABS=300.0 (temperature)
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majun04

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majun

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ÒýÓûØÌû:
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