"Increasing the time step with mass scaling in Born-Oppenheimer ab ..."

Han Zheng, Shenglong Wang, Yingkai Zhang (2009)

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DOI: 10.1002/JCC.21296

access: closed

type: Journal Article

metadata version: 2020-04-01

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Han Zheng, Shenglong Wang, Yingkai Zhang:
Increasing the time step with mass scaling in Born-Oppenheimer ab initio QM/MM molecular dynamics simulations. J. Comput. Chem. 30(16): 2706-2711 (2009)

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