RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials (English)
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- New search for: Dubbeldam, David
- New search for: Calero, Sofía
- New search for: Ellis, Donald E.
- New search for: Snurr, Randall Q.
- New search for: Dubbeldam, David
- New search for: Calero, Sofía
- New search for: Ellis, Donald E.
- New search for: Snurr, Randall Q.
In:
Molecular Simulation
;
42
, 2
;
81-101
;
2016
- Article (Journal) / Electronic Resource
-
Title:RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials
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Contributors:Dubbeldam, David ( author ) / Calero, Sofía ( author ) / Ellis, Donald E. ( author ) / Snurr, Randall Q. ( author )
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Published in:Molecular Simulation ; 42, 2 ; 81-101
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Publisher:
- New search for: Taylor & Francis
-
Publication date:2016-01-22
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Size:21 pages
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ISSN:
-
DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 42, Issue 2
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 81
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RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materialsDubbeldam, David / Calero, Sofía / Ellis, Donald E. / Snurr, Randall Q. et al. | 2016
- 102
-
The structure and electronic properties of dislocations studied by first-principles and molecular dynamicsMa, S.Y. / Zhang, J.X. et al. | 2016
- 110
-
Thermal conductivity of ferromagnetic metallic LaVarshney, Dinesh et al. | 2016
- 110
-
Thermal conductivity of ferromagnetic metallic La0.95Ag0.05MnO3 manganites: role of carrier, spin waves and lattice–impurity scatteringVarshney, Dinesh / Choudhary, Dinesh / Varshney, Meenu / Singh, Namita et al. | 2016
- 122
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A coarse grained molecular dynamics study on the structure and stability of small-sized liposomesTamai, Hideaki / Okutsu, Naoko / Tokuyama, Yuki / Shimizu, Eisuke / Miyagi, Satoshi / Shulga, Sergiy / Danilov, Victor I. / Kurita, Noriyuki et al. | 2016
- 131
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Effect of temperature on welding of metallic nanowires investigated using molecular dynamics simulationsWu, Cheng-Da / Fang, Te-Hua / Wu, Chung-Chin et al. | 2016
- 138
-
Structural basis and energy landscape of apigenin-induced cancer cell apoptosis mechanism in PI3K/Akt pathwayDuan, Ruizhi / Tian, Feifei / Sun, Jiaoyang et al. | 2016
- 149
-
XPairIt Docking Protocol for peptide docking and analysisSellers, Michael S. / Hurley, Margaret M. et al. | 2016