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Physical Chemistry

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Theoretical and Computational Chemistry

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Multi-dimensional Enhanced Sampling Method

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2 results in Keywords: Multi-dimensional Enhanced Sampling Method

Physical Chemistry

BAR-Based Multi-dimensional Nonequilibrium Pulling for Indirect Construction of QM/MM Free Energy Landscape: From Semi-Empirical to Ab Initio

Version 2 posted 23 September 2019

721

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Physical Chemistry

BAR-Based Multi-Dimensional Nonequilibrium Pulling for Indirect Construction of QM/MM Free Energy Landscape

Xiaohui Wang, Qiaole He, Zhaoxi Sun

Version 2 posted 08 March 2019

1,197

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