Related references
Note: Only part of the references are listed.CRYSTAL23: A Program for Computational Solid State Physics and Chemistry
Alessandro Erba et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2022)
From symmetry breaking in the bulk to phase transitions at the surface: a quantum-mechanical exploration of Li6PS5Cl argyrodite superionic conductor
Maddalena D'Amore et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)
Extension and evaluation of the D4 London-dispersion model for periodic systems
Eike Caldeweyher et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
A generally applicable atomic-charge dependent London dispersion correction
Eike Caldeweyher et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
BSSE-correction scheme for consistent gaussian basis sets of double- and triple-zeta valence with polarization quality for solid-state calculations
Daniel Vilela Oliveira et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2019)
Calculation of the Infrared Intensity of Crystalline Systems. A Comparison of Three Strategies Based on Berry Phase, Wannier Function, and Coupled-Perturbed Kohn-Sham Methods
R. Dovesi et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
A First-Principles Calculation of Electronic Properties of LiNH2 and NaNH2
E. B. Kaizer et al.
JOURNAL OF STRUCTURAL CHEMISTRY (2018)
Extension of the D3 dispersion coefficient model
Eike Caldeweyher et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Thermal decomposition of sodium amide, NaNH2, and sodium amide hydroxide composites, NaNH2-NaOH
Lars H. Jepsen et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
SHELXT - Integrated space-group and crystal-structure determination
George M. Sheldrick
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES (2015)
Crystal structure refinement with SHELXL
George M. Sheldrick
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY (2015)
Light-weight NaNH2-NaBH4 hydrogen storage material synthesized via liquid phase ball milling
Ying Bai et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2014)
Density functional study of electronic structure, elastic and optical properties of MNH2 (M=Li, Na, K, Rb)
K. Ramesh Babu et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2014)
Ab initio analytical Raman intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method in an atomic orbital basis. II. Validation and comparison with experiments
Lorenzo Maschio et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Ab initio analytical Raman intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method in an atomic orbital basis. I. Theory
Lorenzo Maschio et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Consistent gaussian basis sets of Triple-Zeta valence with polarization quality for solid-State Calculations
Michael F. Peintinger et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2013)
Theoretical Studies of High-Pressure Phases, Electronic Structure, and Vibrational Properties of NaNH2
Yan Zhong et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
The reactions in LiBH4-NaNH2 hydrogen storage system
Yao Zhang et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2011)
ShelXle: a Qt graphical user interface for SHELXL
Christian B. Huebschle et al.
JOURNAL OF APPLIED CRYSTALLOGRAPHY (2011)
In Situ High-Pressure Study of Sodium Amide by Raman and Infrared Spectroscopies
Ang Liu et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
Hydrogen Desorption from the NaNH2-MgH2 System
Drew A. Sheppard et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
The structural properties of amides and imides as hydrogen storage materials
Takayuki Ichikawa et al.
ZEITSCHRIFT FUR KRISTALLOGRAPHIE (2008)
Problem of hydrogen storage and prospective uses of hydrides for hydrogen accumulation
B. P. Tarasov et al.
RUSSIAN JOURNAL OF GENERAL CHEMISTRY (2007)
Large amount of hydrogen desorption and stepwise phase transition in the chemical reaction of NaNH2 and LiAlH4
Z. T. Xiong et al.
CATALYSIS TODAY (2007)
Structural stability of alkali boron tetrahydrides ABH4 (A = Li, Na, K, Rb, Cs) from first principle calculation
P Vajeeston et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2005)
Thermal decomposition of the non-interstitial hydrides for the storage and production of hydrogen
W Grochala et al.
CHEMICAL REVIEWS (2004)
Mechanism of novel reaction from LiNH2 and LiH to Li2NH and H2 as a promising hydrogen storage system
T Ichikawa et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Destabilization of Li-based complex hydrides
Y Nakamori et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2004)
Interaction of hydrogen with metal nitrides and imides
P Chen et al.
NATURE (2002)
Hydrogen-storage materials for mobile applications
L Schlapbach et al.
NATURE (2001)
Share Paper
