Water’s Structure around Hydrophobic Solutes and the Iceberg Model
作者： N. Galamba
DOI: 10.1021/JP310649N
关键词: Hydrogen bond 、 Molecular dynamics 、 Chemical physics 、 Chemistry 、 Heat capacity 、 Tetrahedron 、 Solvation shell 、 Crystallography 、 Hydrophobic effect 、 Entropy (order and disorder) 、 Molecule 、 Physical and Theoretical Chemistry 、 Materials Chemistry 、 Surfaces, Coatings and Films
摘要: The structure of water in the hydration shells of small hydrophobic solutes was investigated through molecular dynamics. The results show that a subset of water molecules in the first …
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