Comparison of the United- and All-Atom Representations of (Halo)alkanes Based on Two Condensed-Phase Force Fields Optimized against the Same Experimental Data Set-Reference-Cited by-同舟云学术

Comparison of the United- and All-Atom Representations of (Halo)alkanes Based on Two Condensed-Phase Force Fields Optimized against the Same Experimental Data Set

Published:2022-10-03 Issue:11 Volume:18 Page:6757-6778
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Oliveira Marina P.¹^ORCID,Gonçalves Yan M. H.¹,Ol Gheta S. Kashef¹,Rieder Salomé R.¹^ORCID,Horta Bruno A. C.¹,Hünenberger Philippe H.¹^ORCID

Affiliation:

1. Laboratorium für Physikalische Chemie, ETH Zürich, ETH-Hönggerberg, HCI, CH-8093 Zürich, Switzerland

Funder

Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00524

Reference246 articles.

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4. Studies in Molecular Dynamics. I. General Method

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