Concept

Energy profile (chemistry)

Publications associées (45)

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

Energy profile (chemistry)

Graph Chatbot

Chattez avec Graph Search

Weakly nonlinear versus semi-linear models of the nonlinear evolution of the centrifugal instability

Inferring free-energy barriers and kinetic rates from molecular dynamics via underdamped Langevin models

How Robust Is the Reversible Steric Shielding Strategy for Photoswitchable Organocatalysts?

Hamiltonian-Reservoir Replica Exchange and Machine Learning Potentials for Computational Organic Chemistry

Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems

Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems

Balancing Density Functional Theory Interaction Energies in Charged Dimers Precursors to Organic Semiconductors

Efficient Kr/Xe separation from triangular g-C(3)N(4)nanopores, a simulation study

On-the-fly ab initio semiclassical evaluation of third-order response functions for two-dimensional electronic spectroscopy

Updated ATLAS of Biochemistry with New Metabolites and Improved Enzyme Prediction Power

Weakly nonlinear versus semi-linear models of the nonlinear evolution of the centrifugal instability

How Robust Is the Reversible Steric Shielding Strategy for Photoswitchable Organocatalysts?

Inferring free-energy barriers and kinetic rates from molecular dynamics via underdamped Langevin models

Hamiltonian-Reservoir Replica Exchange and Machine Learning Potentials for Computational Organic Chemistry

Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems

Balancing Density Functional Theory Interaction Energies in Charged Dimers Precursors to Organic Semiconductors

On-the-fly ab initio semiclassical evaluation of third-order response functions for two-dimensional electronic spectroscopy

Updated ATLAS of Biochemistry with New Metabolites and Improved Enzyme Prediction Power

Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems

Efficient Kr/Xe separation from triangular g-C(3)N(4)nanopores, a simulation study