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Directory UMM :wiley:Public:journals:jcc:suppmat:20:

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we had cited a gauche - trans conformational energy difference of 2.5 kcal/mol, this being the.. average of values referenced by Wiberg

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Characterization of MMFF94, MMFF94s, and Other Widely Available Force Fields for Conformational Energies and for Intermolecular-Interaction.. Energies

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