Method Evaluations for Adsorption Free Energy Calculations at the Solid/Water Interface through Metadynamics, Umbrella Sampling, and Jarzynski's Equality
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2020 ◽
Vol 16
(3)
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pp. 1757-1767
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2004 ◽
Vol 393
(1-3)
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pp. 282-283
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2004 ◽
Vol 385
(1-2)
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pp. 1-7
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Keyword(s):
Self-healing Umbrella Sampling: A Non-equilibrium Approach for Quantitative Free Energy Calculations
2006 ◽
Vol 110
(29)
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pp. 14011-14013
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2018 ◽
Vol 17
(03)
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pp. 1840003
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2020 ◽
Vol 124
(18)
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pp. 3811-3827
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