Origin of parameter degeneracy and molecular shape relationships in geometric-flow calculations of solvation free energies.

Origin of parameter degeneracy and molecular shape relationships in geometric-flow calculations of solvation free energies.
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溶剂化自由能几何流计算中参数简并和分子形状关系的起源。

DOI:
10.1063/1.4832900
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发表时间:
2013
期刊:
The Journal of chemical physics
影响因子:
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通讯作者:
Baker,NathanA
Baker,NathanA
中科院分区:
--
文献类型:
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作者:
Daily,MichaelD;Chun,Jaehun;Heredia-Langner,Alejandro;Wei,Guowei;Baker,NathanA

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