Structural, electronic, bonding, and elastic properties of NH3BH3: A density functional study
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Title
Structural, electronic, bonding, and elastic properties of NH3BH3: A density functional study
Authors
Keywords
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Journal
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume 32, Issue 8, Pages 1734-1742
Publisher
Wiley
Online
2011-03-21
DOI
10.1002/jcc.21757
References
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Related references
Note: Only part of the references are listed.- High pressure and temperature study of hydrogen storage material BH3NH3 from ab initio calculations
- (2010) M. Ramzan et al. JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
- Quasiparticle band structure and optical properties of NH3BH3
- (2010) Ch. Bheema Lingam et al. Physica Status Solidi-Rapid Research Letters
- Effect of metallic surfaces on the electronic structure, magnetism, and transport properties of Co-phthalocyanine molecules
- (2010) Xi Chen et al. PHYSICAL REVIEW B
- Efficient Regeneration of Partially Spent Ammonia Borane Fuel
- (2009) Benjamin L. Davis et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- A Comparative Study of the Structural, Electronic, and Vibrational Properties of NH3BH3and LiNH2BH3: Theory and Experiment
- (2009) Seung Mi Lee et al. CHEMPHYSCHEM
- Mechanical properties of Ti3AlX (X = C, N):Ab initiostudy
- (2009) V. Kanchana EPL
- Structural and energetic analysis of the hydrogen storage materialsLiNH2BH3andNaNH2BH3fromab initiocalculations
- (2009) M. Ramzan et al. PHYSICAL REVIEW B
- High-pressure phase and transition phenomena in ammonia boraneNH3BH3from x-ray diffraction, Landau theory, andab initiocalculations
- (2009) Yaroslav Filinchuk et al. PHYSICAL REVIEW B
- Band structures and native defects of ammonia borane
- (2009) D. West et al. PHYSICAL REVIEW B
- Electronic, optical and bonding properties of CaCO3 calcite
- (2009) Faruque M. Hossain et al. SOLID STATE COMMUNICATIONS
- Structural evolution of ammonia borane for hydrogen storage
- (2008) J. B. Yang et al. APPLIED PHYSICS LETTERS
- Quasielastic neutron scattering of –NH3 and –BH3 rotational dynamics in orthorhombic ammonia borane
- (2008) Nancy J. Hess et al. CHEMICAL PHYSICS LETTERS
- Spectroscopic studies of the phase transition in ammonia borane: Raman spectroscopy of single crystal NH3BH3 as a function of temperature from 88to330K
- (2008) Nancy J. Hess et al. JOURNAL OF CHEMICAL PHYSICS
- Molecular Structure and Dynamics in the Low Temperature (Orthorhombic) Phase of NH3BH3
- (2008) Herman Cho et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Alkali and Alkaline-Earth Metal Amidoboranes: Structure, Crystal Chemistry, and Hydrogen Storage Properties
- (2008) Hui Wu et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
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