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clarification on the choice of charges and force field, and where these checked for free molecule, molecule pairs and crystal strutures to ensure no dramatic impact on bond length, bond angles and torsions was seen.
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franch(½ð±Ò+1): лл»ØÌû½»Á÷ 2011-04-10 18:46:44
clarification on the choice of charges and force field, and where these checked for free molecule
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