Structure and dynamics of hydrated NH: A
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Pathumwadee Intharathep; Anan Tongraar; Kritsana Sagarik
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Article
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2005
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John Wiley and Sons
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English
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## Abstract A combined __ab initio__ quantum mechanical/molecular mechanical (QM/MM) molecular dynamics simulation has been performed to investigate solvation structure and dynamics of NH in water. The most interesting region, the sphere includes an ammonium ion and its first hydration shell, was t