"A charge equilibration formalism for treating charge transfer effects in ..."

Sudipta Kumar Sinha, Mohit Mehta, Sandeep Patel (2017)

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DOI: 10.1002/JCC.24789

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type: Journal Article

metadata version: 2025-08-05

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Sudipta Kumar Sinha, Mohit Mehta, Sandeep Patel:
A charge equilibration formalism for treating charge transfer effects in MD simulations: Application to water clusters. J. Comput. Chem. 38(16): 1389-1409 (2017)

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