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Could an anisotropic molecular mechanics/dynamics potential account for sigma hole effects in the complexes of halogenated compounds?

Krystel El Hage, Jean-Philip Piquemal, Zeina Hobaika, Richard G. Maroun, Nohad Gresh. Could an anisotropic molecular mechanics/dynamics potential account for sigma hole effects in the complexes of halogenated compounds?. Journal of Computational Chemistry, 34(13):1125-1135, 2013. [doi]

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Krystel El Hage

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Jean-Philip Piquemal

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Zeina Hobaika

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Richard G. Maroun

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Nohad Gresh

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