A Simple Electron-Density Based Force Field Model for High-Energy Interactions between Atoms and Molecules-Reference-Cited by-同舟云学术

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A Simple Electron-Density Based Force Field Model for High-Energy Interactions between Atoms and Molecules

Published:2024-02-06 Issue: Volume: Page:
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Romero José¹²,Limão-Vieira Paulo²,Hermansson Kersti³,Probst Michael¹⁴^ORCID

Affiliation:

1. Institute of Ion Physics and Applied Physics, University of Innsbruck, Technikerstraße 25, Innsbruck 6020, Austria

2. Atomic and Molecular Collisions Laboratory, CEFITEC, Department of Physics, Universidade NOVA de Lisboa, Caparica 2829-516, Portugal

3. Department of Chemistry-Ångström, Uppsala University, Uppsala SE-75121, Sweden

4. School of Molecular Science and Engineering, Vidyasirimedhi Institute of Science and Technology, Rayong 21210, Thailand

Funder

EUROfusion

Funda??o para a Ci?ncia e a Tecnologia

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c06724

Reference68 articles.

1. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

2. CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields

3. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

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