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Vibrational Property Study of SrGa2H2and BaGa2H2by Inelastic Neutron Scattering and First Principles Calculations
Inorganic Chemistry
◽
10.1021/ic7019318
◽
2008
◽
Vol 47
(5)
◽
pp. 1496-1501
◽
Cited By ~ 12
Author(s):
Myeong H. Lee
◽
Michael J. Evans
◽
Luke L. Daemen
◽
Otto F. Sankey
◽
Ulrich Häussermann
Keyword(s):
Neutron Scattering
◽
First Principles
◽
Inelastic Neutron Scattering
◽
Inelastic Neutron
◽
Vibrational Property
◽
First Principles Calculations
Download Full-text
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Cited By
References
ChemInform Abstract: Vibrational Property Study of SrGa2H2and BaGa2H2by Inelastic Neutron Scattering and First Principles Calculations.
ChemInform
◽
10.1002/chin.200820007
◽
2008
◽
Vol 39
(20)
◽
Author(s):
Myeong H. Lee
◽
Michael J. Evans
◽
Luke L. Daemen
◽
Otto F. Sankey
◽
Ulrich Haeussermann
Keyword(s):
Neutron Scattering
◽
First Principles
◽
Inelastic Neutron Scattering
◽
Inelastic Neutron
◽
Vibrational Property
◽
First Principles Calculations
Download Full-text
Phonon dispersion relations, phase transitions, and thermodynamic properties ofZrSiO4: Inelastic neutron scattering experiments, shell model, and first-principles calculations
Physical Review B
◽
10.1103/physrevb.73.094308
◽
2006
◽
Vol 73
(9)
◽
Cited By ~ 28
Author(s):
S. L. Chaplot
◽
L. Pintschovius
◽
N. Choudhury
◽
R. Mittal
Keyword(s):
Phase Transitions
◽
Thermodynamic Properties
◽
Neutron Scattering
◽
Shell Model
◽
First Principles
◽
Phonon Dispersion
◽
Inelastic Neutron Scattering
◽
Inelastic Neutron
◽
First Principles Calculations
◽
Phonon Dispersion Relations
Download Full-text
Phase transitions and thermodynamic properties of yttria, Y2O3: Inelastic neutron scattering shell model and first-principles calculations
Physical Review B
◽
10.1103/physrevb.84.094301
◽
2011
◽
Vol 84
(9)
◽
Cited By ~ 24
Author(s):
Preyoshi P. Bose
◽
M. K. Gupta
◽
R. Mittal
◽
S. Rols
◽
S. N. Achary
◽
...
Keyword(s):
Phase Transitions
◽
Thermodynamic Properties
◽
Neutron Scattering
◽
Shell Model
◽
First Principles
◽
Inelastic Neutron Scattering
◽
Inelastic Neutron
◽
First Principles Calculations
Download Full-text
Phonon spectrum ofZnAl2O4spinel from inelastic neutron scattering and first-principles calculations
Physical Review B
◽
10.1103/physrevb.66.144301
◽
2002
◽
Vol 66
(14)
◽
Cited By ~ 43
Author(s):
C. M. Fang
◽
C.-K. Loong
◽
G. A. de Wijs
◽
G. de With
Keyword(s):
Neutron Scattering
◽
First Principles
◽
Phonon Spectrum
◽
Inelastic Neutron Scattering
◽
Inelastic Neutron
◽
First Principles Calculations
Download Full-text
Electron–Phonon Coupling in Luminescent Europium-Doped Hydride Perovskites Studied by Luminescence Spectroscopy, Inelastic Neutron Scattering, and First-Principles Calculations
The Journal of Physical Chemistry C
◽
10.1021/acs.jpcc.8b01011
◽
2018
◽
Vol 122
(19)
◽
pp. 10501-10509
◽
Cited By ~ 10
Author(s):
Gauthier Lefevre
◽
Alexander Herfurth
◽
Holger Kohlmann
◽
Adlane Sayede
◽
Thomas Wylezich
◽
...
Keyword(s):
Neutron Scattering
◽
First Principles
◽
Inelastic Neutron Scattering
◽
Inelastic Neutron
◽
Luminescence Spectroscopy
◽
First Principles Calculations
◽
Phonon Coupling
◽
Electron Phonon Coupling
Download Full-text
Inelastic neutron scattering spectra in f-electron compounds: first-principles calculations
Applied Physics A
◽
10.1007/s003390201630
◽
2002
◽
Vol 74
(0)
◽
pp. s772-s774
◽
Cited By ~ 1
Author(s):
M. Divi?
◽
J. Rusz
Keyword(s):
Neutron Scattering
◽
First Principles
◽
Inelastic Neutron Scattering
◽
Inelastic Neutron
◽
First Principles Calculations
◽
Scattering Spectra
◽
Electron Compounds
Download Full-text
Phonons and Anomalous Lattice Behavior in KMnAg3(CN)6 and KNiAu3(CN)6: Inelastic Neutron Scattering and First-Principles Calculations
The Journal of Physical Chemistry C
◽
10.1021/acs.jpcc.9b11500
◽
2020
◽
Vol 124
(13)
◽
pp. 7216-7228
Author(s):
Baltej Singh
◽
Mayanak K. Gupta
◽
Ranjan Mittal
◽
Mohamed Zbiri
◽
Thoguluva R. Ravindran
◽
...
Keyword(s):
Neutron Scattering
◽
First Principles
◽
Inelastic Neutron Scattering
◽
Inelastic Neutron
◽
First Principles Calculations
Download Full-text
On the Structural Transformation of Ni/BaH2 During a N2-H2 Chemical Looping Process for Ammonia Synthesis: A Joint In Situ Inelastic Neutron Scattering and First-Principles Simulation Study
Topics in Catalysis
◽
10.1007/s11244-021-01445-w
◽
2021
◽
Author(s):
Jisue Moon
◽
Yongqiang Cheng
◽
Luke Daemen
◽
Eric Novak
◽
Anibal J. Ramirez-Cuesta
◽
...
Keyword(s):
Neutron Scattering
◽
Structural Transformation
◽
Simulation Study
◽
First Principles
◽
Ammonia Synthesis
◽
Inelastic Neutron Scattering
◽
Inelastic Neutron
◽
Chemical Looping
Download Full-text
Anharmonic lattice dynamics ofAg2Ostudied by inelastic neutron scattering and first-principles molecular dynamics simulations
Physical Review B
◽
10.1103/physrevb.89.054306
◽
2014
◽
Vol 89
(5)
◽
Cited By ~ 23
Author(s):
Tian Lan
◽
Chen W. Li
◽
J. L. Niedziela
◽
Hillary Smith
◽
Douglas L. Abernathy
◽
...
Keyword(s):
Molecular Dynamics
◽
Neutron Scattering
◽
Molecular Dynamics Simulations
◽
First Principles
◽
Lattice Dynamics
◽
Inelastic Neutron Scattering
◽
Inelastic Neutron
◽
Anharmonic Lattice
◽
Dynamics Simulations
◽
First Principles Molecular Dynamics
Download Full-text
Spin-phonon coupling and high-pressure phase transitions ofRMnO3(R=Caand Pr): An inelastic neutron scattering and first-principles study
Physical Review B
◽
10.1103/physrevb.93.214306
◽
2016
◽
Vol 93
(21)
◽
Cited By ~ 4
Author(s):
S. K. Mishra
◽
M. K. Gupta
◽
R. Mittal
◽
A. I. Kolesnikov
◽
S. L. Chaplot
Keyword(s):
High Pressure
◽
Phase Transitions
◽
Neutron Scattering
◽
First Principles
◽
Inelastic Neutron Scattering
◽
Inelastic Neutron
◽
High Pressure Phase
◽
Phonon Coupling
◽
First Principles Study
◽
Pressure Phase
Download Full-text
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