(Q114836716)

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A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model

scientific article published in October 1993

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A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model (English)
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Christopher I. Bayly
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Piotr Cieplak
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Wendy Cornell
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Peter A. Kollman
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October 1993
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97
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40
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10269-10280
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