From orientation disordered to ordered-Anab initiosimulation on ammonia borane phase transition within van der Waals corrections-Reference-Cited by-同舟云学术

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From orientation disordered to ordered-Anab initiosimulation on ammonia borane phase transition within van der Waals corrections

Published:2014-10-18 Issue:1 Volume:36 Page:22-32
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Song Qi¹²,Jiang Zhenyi¹,Zhang Zhiyong³,Hou Yuqing²,Zhang Xiaodong¹

Affiliation:

1. Institute of Modern Physics, Northwest University; Xi'an 710069 People's Republic of China

2. Department of Electronic; Northwest University; Xi'an 710069 People's Republic of China

3. Stanford Research Computing Center, Stanford University; Stanford California 94305

Funder

Northwest University

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference34 articles.

1. High-pressure phase and transition phenomena in ammonia boraneNH3BH3from x-ray diffraction, Landau theory, andab initiocalculations

2. Amineborane-Based Chemical Hydrogen Storage: Enhanced Ammonia Borane Dehydrogenation in Ionic Liquids

3. Efficient Catalysis of Ammonia Borane Dehydrogenation

4. A high-performance hydrogen generation system: Transition metal-catalyzed dissociation and hydrolysis of ammonia–borane

Cited by 4 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Theoretical study of the synthesis, characterization and hydrogen storage properties of a high-density hydrogen storage material: (CH3NH3)BH4;International Journal of Hydrogen Energy;2021-05

2. A first-principles simulation of the metal borohydride ammonia borane complex (LiBH4)2(NH3BH3) and the decomposition reaction pathway for hydrogen storage;International Journal of Hydrogen Energy;2019-07

3. Ammonia borane, a material with exceptional properties for chemical hydrogen storage;International Journal of Hydrogen Energy;2017-04

4. On the nature of the trimer, tetramer, and pentamer of ammonia borane;Theoretical Chemistry Accounts;2016-03-18

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