Benchmarking the performance of density functional theory and point charge force fields in their description of sI methane hydrate against diffusion Monte Carlo

Bibliographic Details
Published in:The Journal of Chemical Physics
Main Authors: Cox SJ, Towler MD, Alfe D, Michaelides A
Other Authors: Cox, Sj, Towler, Md, Alfe, D, Michaelides, A
Format: Article in Journal/Newspaper
Language:English
Published: 2014
Subjects:
Methane hydrate
Online Access:http://hdl.handle.net/11588/753548
https://doi.org/10.1063/1.4871873
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spelling ftunivnapoliiris:oai:www.iris.unina.it:11588/753548 2024-09-09T19:52:06+00:00 Benchmarking the performance of density functional theory and point charge force fields in their description of sI methane hydrate against diffusion Monte Carlo Cox SJ Towler MD Alfe D Michaelides A Cox, Sj Towler, Md Alfe, D Michaelides, A 2014 http://hdl.handle.net/11588/753548 https://doi.org/10.1063/1.4871873 eng eng info:eu-repo/semantics/altIdentifier/wos/WOS:000336048000035 volume:140 issue:17 numberofpages:8 journal:THE JOURNAL OF CHEMICAL PHYSICS http://hdl.handle.net/11588/753548 doi:10.1063/1.4871873 info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84900028328 info:eu-repo/semantics/article 2014 ftunivnapoliiris https://doi.org/10.1063/1.4871873 2024-06-17T15:19:33Z Article in Journal/Newspaper Methane hydrate IRIS Università degli Studi di Napoli Federico II The Journal of Chemical Physics 140 17 174703
institution Open Polar
collection IRIS Università degli Studi di Napoli Federico II
op_collection_id ftunivnapoliiris
language English
author2 Cox, Sj
Towler, Md
Alfe, D
Michaelides, A
format Article in Journal/Newspaper
author Cox SJ
Towler MD
Alfe D
Michaelides A
spellingShingle Cox SJ
Towler MD
Alfe D
Michaelides A
Benchmarking the performance of density functional theory and point charge force fields in their description of sI methane hydrate against diffusion Monte Carlo
author_facet Cox SJ
Towler MD
Alfe D
Michaelides A
author_sort Cox SJ
title Benchmarking the performance of density functional theory and point charge force fields in their description of sI methane hydrate against diffusion Monte Carlo
title_short Benchmarking the performance of density functional theory and point charge force fields in their description of sI methane hydrate against diffusion Monte Carlo
title_full Benchmarking the performance of density functional theory and point charge force fields in their description of sI methane hydrate against diffusion Monte Carlo
title_fullStr Benchmarking the performance of density functional theory and point charge force fields in their description of sI methane hydrate against diffusion Monte Carlo
title_full_unstemmed Benchmarking the performance of density functional theory and point charge force fields in their description of sI methane hydrate against diffusion Monte Carlo
title_sort benchmarking the performance of density functional theory and point charge force fields in their description of si methane hydrate against diffusion monte carlo
publishDate 2014
url http://hdl.handle.net/11588/753548
https://doi.org/10.1063/1.4871873
genre Methane hydrate
genre_facet Methane hydrate
op_relation info:eu-repo/semantics/altIdentifier/wos/WOS:000336048000035
volume:140
issue:17
numberofpages:8
journal:THE JOURNAL OF CHEMICAL PHYSICS
http://hdl.handle.net/11588/753548
doi:10.1063/1.4871873
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84900028328
op_doi https://doi.org/10.1063/1.4871873
container_title The Journal of Chemical Physics
container_volume 140
container_issue 17
container_start_page 174703
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