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3 articles related to "Born Oppenheimer"

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Articles

Original Research

Published on 25 Oct 2013

Force-field functor theory: classical force-fields which reproduce equilibrium quantum distributions

in Theoretical and Computational Chemistry

Ryan Babbush
John Anthony Parkhill
Alan Aspuru-Guzik

Frontiers in Chemistry

doi 10.3389/fchem.2013.00026

9,568 views
5 citations

Original Research

Published on 18 Sep 2023

Unraveling the role of thermal fluctuations on the exciton structure of the cryptophyte PC612 and PC645 photosynthetic antenna complexes

in Biological Modeling and Simulation

Beste Ozaydin
Carles Curutchet

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2023.1268278

2,515 views
3 citations

Original Research

Published on 28 Mar 2019

Quantum Behavior of Spin-Orbit Inelastic Scattering of C-Atoms by D2 at Low Energy

in Chemical Physics and Physical Chemistry

Astrid Bergeat
Sébastien B. Morales
Christian Naulin
Jacek Kłos
François Lique

Frontiers in Chemistry

doi 10.3389/fchem.2019.00164

4,166 views
10 citations