(Q56986402)

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Methyl Phosphate Dianion Hydrolysis in Solution Characterized by Path Collective Variables Coupled with DFT-Based Enhanced Sampling Simulations

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title

Methyl Phosphate Dianion Hydrolysis in Solution Characterized by Path Collective Variables Coupled with DFT-Based Enhanced Sampling Simulations (English)

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4

Vincenzo Barone

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author name string

Davide Branduardi

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1

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Marco De Vivo

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2

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Nadia Rega

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3

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Andrea Cavalli

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5

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language of work or name

English

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publication date

8 March 2011

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published in

Journal of Chemical Theory and Computation

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volume

7

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issue

3

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page(s)

539-43

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PubMed publication ID

26596288

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(Q56986402)

Methyl Phosphate Dianion Hydrolysis in Solution Characterized by Path Collective Variables Coupled with DFT-Based Enhanced Sampling Simulations

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