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Absolute Energy Levels of Liquid Water

Alfredo Pasquarello, Francesco Ambrosio, Zhendong Guo
2018
Journal Articles

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Alfredo Pasquarello, Francesco Ambrosio, Zhendong Guo
2018
Journal Articles

Source officielle

Publications associées (2)

https://infoscience.epfl.ch/entities/publication/2bf81038-8cbd-4bec-9623-7b6a17cd8fca

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Publications associées (2)

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

Ursula Röthlisberger, Martin Peter Bircher, Justin Villard

The accurate representation of the structural and dynamical properties of water is essential for simulating the unique behavior of this ubiquitous solvent. Here we assess the current status of describing liquid water using ab initio molecular dynamics, wit ...

Royal Soc Chemistry2024

The Orientation and Charge of Water at the Hydrophobic Oil Droplet-Water Interface

Sylvie Roke

We established the charge and structure of the oil/water interface by combining zeta-potential measurements, sum frequency scattering (SFS) and molecular dynamics simulations. The SFS experiments show that the orientation of water molecules can be followed ...

2011

Absolute Energy Levels of Liquid Water

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

The Orientation and Charge of Water at the Hydrophobic Oil Droplet-Water Interface

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