Publication

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

Publications associées (94)

À propos
Confidentialité
Mentions légales

Graph Chatbot

Chattez avec Graph Search

Posez n’importe quelle question sur les cours, conférences, exercices, recherches, actualités, etc. de l’EPFL ou essayez les exemples de questions ci-dessous.

AVERTISSEMENT : Le chatbot Graph n'est pas programmé pour fournir des réponses explicites ou catégoriques à vos questions. Il transforme plutôt vos questions en demandes API qui sont distribuées aux différents services informatiques officiellement administrés par l'EPFL. Son but est uniquement de collecter et de recommander des références pertinentes à des contenus que vous pouvez explorer pour vous aider à répondre à vos questions.

Connectez-vous pour utiliser Chat avec Graph Search

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

Graph Chatbot

Chattez avec Graph Search

A Perspective on the Revival of Structural (In)Stability With Novel Opportunities for Function: From Buckliphobia to Buckliphilia

Accurate and Inexpensive Prediction of the Color Optical Properties of Anthocyanins in Solution

Quantum fluctuations and isotope effects in ab initio descriptions of water

DFT-Derived Reactive Potentials for the Simulation of Activated Processes: the Case of CdTe and CdTe:S

The Fate of a Zwitterion in Water from ab Initio Molecular Dynamics: Monoethanolamine (MEA)-CO2

Computational Quantum Chemical Studies on Radicals

Translational and Rotational Diffusion in Water in the Gigapascal Range

Structure and dynamics of liquid water from ab initio molecular dynamics - Comparison of BLYP, PBE and revPBE density functionals with and without van der Waals corrections

Bridging Static and Dynamical Descriptions of Chemical Reactions: An ab Initio Study of CO2 Interacting with Water Molecules

Networks of Self-Adaptive Dynamical Systems

A Perspective on the Revival of Structural (In)Stability With Novel Opportunities for Function: From Buckliphobia to Buckliphilia

The Fate of a Zwitterion in Water from ab Initio Molecular Dynamics: Monoethanolamine (MEA)-CO2

Bridging Static and Dynamical Descriptions of Chemical Reactions: An ab Initio Study of CO2 Interacting with Water Molecules

Computational Quantum Chemical Studies on Radicals

DFT-Derived Reactive Potentials for the Simulation of Activated Processes: the Case of CdTe and CdTe:S

Accurate and Inexpensive Prediction of the Color Optical Properties of Anthocyanins in Solution

Quantum fluctuations and isotope effects in ab initio descriptions of water

Translational and Rotational Diffusion in Water in the Gigapascal Range

Networks of Self-Adaptive Dynamical Systems

Structure and dynamics of liquid water from ab initio molecular dynamics - Comparison of BLYP, PBE and revPBE density functionals with and without van der Waals corrections

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