Data for exploring the effect of parameters on decomposition of gas hydrate structure I

This article describes initial and final configurations of methane hydrate structure I as PDB file at various cage occupancies and different temperatures. Cage occupancies from full occupancy to 75% at three temperatures of 290 K, 300 K and 310 K are presented. Dissociation behavior of gas hydrate s...

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Bibliographic Details
Published in:Data in Brief
Main Authors: Mohammad Fani Kheshty, Farshad Varaminian, Nafiseh Farhadian
Format: Article in Journal/Newspaper
Language:English
Published: Elsevier 2018
Subjects:
Computer applications to medicine. Medical informatics
R858-859.7
Science (General)
Q1-390
Methane hydrate
Online Access:https://doi.org/10.1016/j.dib.2018.04.015
https://doaj.org/article/f8242448c54040d381fee6e44c4fd3b4
id ftdoajarticles:oai:doaj.org/article:f8242448c54040d381fee6e44c4fd3b4
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spelling ftdoajarticles:oai:doaj.org/article:f8242448c54040d381fee6e44c4fd3b4 2023-05-15T17:11:50+02:00 Data for exploring the effect of parameters on decomposition of gas hydrate structure I Mohammad Fani Kheshty Farshad Varaminian Nafiseh Farhadian 2018-06-01T00:00:00Z https://doi.org/10.1016/j.dib.2018.04.015 https://doaj.org/article/f8242448c54040d381fee6e44c4fd3b4 EN eng Elsevier http://www.sciencedirect.com/science/article/pii/S2352340918303664 https://doaj.org/toc/2352-3409 2352-3409 doi:10.1016/j.dib.2018.04.015 https://doaj.org/article/f8242448c54040d381fee6e44c4fd3b4 Data in Brief, Vol 18, Iss , Pp 1247-1251 (2018) Computer applications to medicine. Medical informatics R858-859.7 Science (General) Q1-390 article 2018 ftdoajarticles https://doi.org/10.1016/j.dib.2018.04.015 2022-12-31T13:38:36Z This article describes initial and final configurations of methane hydrate structure I as PDB file at various cage occupancies and different temperatures. Cage occupancies from full occupancy to 75% at three temperatures of 290 K, 300 K and 310 K are presented. Dissociation behavior of gas hydrate structure I at the temperature of 300 K is shown in changing the potential energy and radial distribution function. Article in Journal/Newspaper Methane hydrate Directory of Open Access Journals: DOAJ Articles Data in Brief 18 1247 1251
institution Open Polar
collection Directory of Open Access Journals: DOAJ Articles
op_collection_id ftdoajarticles
language English
topic Computer applications to medicine. Medical informatics
R858-859.7
Science (General)
Q1-390
spellingShingle Computer applications to medicine. Medical informatics
R858-859.7
Science (General)
Q1-390
Mohammad Fani Kheshty
Farshad Varaminian
Nafiseh Farhadian
Data for exploring the effect of parameters on decomposition of gas hydrate structure I
topic_facet Computer applications to medicine. Medical informatics
R858-859.7
Science (General)
Q1-390
description This article describes initial and final configurations of methane hydrate structure I as PDB file at various cage occupancies and different temperatures. Cage occupancies from full occupancy to 75% at three temperatures of 290 K, 300 K and 310 K are presented. Dissociation behavior of gas hydrate structure I at the temperature of 300 K is shown in changing the potential energy and radial distribution function.
format Article in Journal/Newspaper
author Mohammad Fani Kheshty
Farshad Varaminian
Nafiseh Farhadian
author_facet Mohammad Fani Kheshty
Farshad Varaminian
Nafiseh Farhadian
author_sort Mohammad Fani Kheshty
title Data for exploring the effect of parameters on decomposition of gas hydrate structure I
title_short Data for exploring the effect of parameters on decomposition of gas hydrate structure I
title_full Data for exploring the effect of parameters on decomposition of gas hydrate structure I
title_fullStr Data for exploring the effect of parameters on decomposition of gas hydrate structure I
title_full_unstemmed Data for exploring the effect of parameters on decomposition of gas hydrate structure I
title_sort data for exploring the effect of parameters on decomposition of gas hydrate structure i
publisher Elsevier
publishDate 2018
url https://doi.org/10.1016/j.dib.2018.04.015
https://doaj.org/article/f8242448c54040d381fee6e44c4fd3b4
genre Methane hydrate
genre_facet Methane hydrate
op_source Data in Brief, Vol 18, Iss , Pp 1247-1251 (2018)
op_relation http://www.sciencedirect.com/science/article/pii/S2352340918303664
https://doaj.org/toc/2352-3409
2352-3409
doi:10.1016/j.dib.2018.04.015
https://doaj.org/article/f8242448c54040d381fee6e44c4fd3b4
op_doi https://doi.org/10.1016/j.dib.2018.04.015
container_title Data in Brief
container_volume 18
container_start_page 1247
op_container_end_page 1251
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