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Structure and dynamics of liquid water from ab initio simulations: adding Minnesota density functionals to Jacob's ladder

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In the present paper the "interface" dynamics in the case of two complex systems interaction, assimilated to fractal-type mathematical objects, are analyzed. In such context, fractal bistable-type behaviors as transitions in the scale space are obtained. O ...

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The interface between water and folded proteins is very complex. Proteins have "patchy" solvent-accessible areas composed of domains of varying hydrophobicity. The textbook understanding is that these domains contribute additively to interfacial properties ...

PNAS2019

Structure and dynamics of liquid water from ab initio simulations: adding Minnesota density functionals to Jacob&apos;s ladder

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Structure and dynamics of liquid water from ab initio simulations: adding Minnesota density functionals to Jacob's ladder