Publication

Fermi resonance in CO2: Mode assignment and quantum nuclear effects from first principles molecular dynamics

Related publications (152)

About
Privacy
Disclaimer

Graph Chatbot

Chat with Graph Search

Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.

DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.

Fermi resonance in CO2: Mode assignment and quantum nuclear effects from first principles molecular dynamics

Graph Chatbot

Chat with Graph Search

Reaction dynamics of in aqueous amines from ab initio molecular dynamics: 2-amino-2-methyl-1,3-propanediol (AMPD) compared to monoethanolamine (MEA)

En route to multi-model scheme for clinker comminution with chemical grinding aids

Evaluation and analysis of vibrationally resolved electronic spectra with ab initio semiclassical dynamics

A Theoretical Rationalisation of the Emission Properties of Prototypical Cu(I)-Phenanthroline Complexes

Solvent-dependent structure of the I3 - ion derived from photoelectron spectroscopy and Ab initio molecular dynamics simulations

Numerical Simulation of the Overall Transfer Impedance of Shielded Spacecraft Harness Cable Assemblies

Molecular-Atomic Transition along the Deuterium Hugoniot Curve with Coupled Electron-Ion Monte Carlo Simulations

Communication: On the consistency of approximate quantum dynamics simulation methods for vibrational spectra in the condensed phase

How to remove the spurious resonances from ring polymer molecular dynamics

Characterization of the quasi-one-dimensional compounds delta-(EDT-TTF-CONMe2)(2)X, X=AsF6 and Br by vibrational spectroscopy and density functional theory calculations