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journal:THEOCHEM AND title:(How AND to AND develop AND force AND fields AND \: AND An AND account AND of AND the AND emergence AND of AND potential AND energy AND functions AND for AND saccharides)

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1 Journal article

How to develop force fields: An account of the emergence of potential energy functions for saccharides

Year: 1997

Language: English

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2 Journal article

How to develop force fields : An account of the emergence of potential energy functions for saccharides

An account is given of the development of force fields for saccharides starting with the hand-fitting of parameters prior to 1985 and leading through series of optimizations. An attempt is made to pass on the accumulated know-how. The latest results can reproduce rotational barriers

Year: 1997

Language: English

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