Benchmarking the performance of density functional theory and point charge force fields in their description of sI methane hydrate against diffusion Monte Carlo
Published in: | The Journal of Chemical Physics |
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Format: | Article in Journal/Newspaper |
Language: | English |
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2014
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Online Access: | http://hdl.handle.net/11588/753548 https://doi.org/10.1063/1.4871873 |
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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 |
_version_ |
1809921472417759232 |