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Frontier Bonds in QM/MM Methods: A Comparison of Different Approaches

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Frontier Bonds in QM/MM Methods: A Comparison of Different Approaches (English)

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4

Martin Karplus

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Nathalie Reuter

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Nathalie Reuter

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1

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Annick Dejaegere

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2

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Bernard Maigret

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3

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English

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publication date

March 2000

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published in

Journal of Physical Chemistry A

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volume

104

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page(s)

1720-1735

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issue

8

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10.1021/JP9924124

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(Q57235386)

Frontier Bonds in QM/MM Methods: A Comparison of Different Approaches

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