Development of the ReaxFFCBN reactive force field for the improved design of liquid CBN hydrogen storage materials
出版年份 2016 全文链接
标题
Development of the ReaxFFCBN reactive force field for the improved design of liquid CBN hydrogen storage materials
作者
关键词
-
出版物
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 18, Issue 3, Pages 1818-1827
出版商
Royal Society of Chemistry (RSC)
发表日期
2015-12-03
DOI
10.1039/c5cp05486a
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Liquid organic and inorganic chemical hydrides for high-capacity hydrogen storage
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- Development of a ReaxFF Potential for Carbon Condensed Phases and Its Application to the Thermal Fragmentation of a Large Fullerene
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- Bis-BN Cyclohexane: A Remarkably Kinetically Stable Chemical Hydrogen Storage Material
- (2014) Gang Chen et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Development of a ReaxFF Reactive Force Field for Titanium Dioxide/Water Systems
- (2013) Sung-Yup Kim et al. LANGMUIR
- Reactions of Singly-Reduced Ethylene Carbonate in Lithium Battery Electrolytes: A Molecular Dynamics Simulation Study Using the ReaxFF
- (2012) Dmitry Bedrov et al. JOURNAL OF PHYSICAL CHEMISTRY A
- A future energy supply based on Liquid Organic Hydrogen Carriers (LOHC)
- (2011) Daniel Teichmann et al. Energy & Environmental Science
- 1,2-BN Cyclohexane: Synthesis, Structure, Dynamics, and Reactivity
- (2011) Wei Luo et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- A Single-Component Liquid-Phase Hydrogen Storage Material
- (2011) Wei Luo et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
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- (2011) H.M. Aktulga et al. PARALLEL COMPUTING
- Ammonia-Borane and Related Compounds as Dihydrogen Sources
- (2010) Anne Staubitz et al. CHEMICAL REVIEWS
- ReaxFF Reactive Force Field Development and Applications for Molecular Dynamics Simulations of Ammonia Borane Dehydrogenation and Combustion
- (2010) Michael R. Weismiller et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Hydrogen Storage by Boron−Nitrogen Heterocycles: A Simple Route for Spent Fuel Regeneration
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- Chemical and Physical Solutions for Hydrogen Storage
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- ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation
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