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K372

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"the 6-31+g* basis set is the 6-31g* basis set with diffuse function added to heavy atoms. The double plus version,6-31++g*,adds diffuse function to the hydrogen atoms as well.diffuse functions on hydrogen atoms seldom make a significant difference in accurarcy."

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3Â¥2008-03-09 09:15:59
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herosmzd

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Originally posted by K372 at 2008-3-9 09:19:
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5Â¥2008-03-10 11:03:38
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