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

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Water Activity from Equilibrium Molecular Dynamics Simulations and Kirkwood-Buff Theory

Effect of the Solvent on the Oxygen Evolution Reaction at the TiO2-Water Interface

Polyelectrolytes induce water-water correlations that result in dramatic viscosity changes and nuclear quantum effects

Supercritical water anomalies in the vicinity of the Widom line

The static and dynamic structural heterogeneities of B-DNA: extending Calladine-Dickerson rules

Temperature dependence of water-water and ion-water correlations in bulk water and electrolyte solutions probed by femtosecond elastic second harmonic scattering

An Automatic, Data-Driven Definition of Atomic-Scale Structural Motifs

Modeling Compositions of Impedance-based Primitives via Dynamical Systems.

Absolute band alignment at semiconductor-water interfaces using explicit and implicit descriptions for liquid water

HOD on Ni(111): Ab Initio molecular dynamics prediction of molecular beam experiments

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

Graph Chatbot

Chattez avec Graph Search

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