Equation of state of TiH2 up to 90 GPa: A synchrotron x-ray diffraction study and ab initio calculations

2010 ◽  
Vol 108 (4) ◽  
pp. 043511 ◽  
Author(s):  
Patricia E. Kalita ◽  
Stanislav V. Sinogeikin ◽  
Kristina Lipinska-Kalita ◽  
Thomas Hartmann ◽  
Xuezhi Ke ◽  
...  
Keyword(s):  
Equation Of State ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Diffraction Study ◽  
X Ray Diffraction ◽  
X Ray

Publisher's Note: “Equation of state of TiH2 up to 90 GPa: A synchrotron x-ray diffraction study and ab initio calculations” [J. Appl. Phys. 108, 043511 (2010)]

2010 ◽  
Vol 108 (7) ◽  
pp. 079903 ◽  
Author(s):  
Patricia E. Kalita ◽  
Stanislav V. Sinogeikin ◽  
Kristina Lipinska-Kalita ◽  
Thomas Hartmann ◽  
Xuezhi Ke ◽  
...  
Keyword(s):  
Equation Of State ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Diffraction Study ◽  
X Ray Diffraction ◽  
X Ray

Thermal equation-of-state of osmium: a synchrotron X-ray diffraction study

2005 ◽  
Vol 66 (5) ◽  
pp. 706-710 ◽  
Author(s):  
G.A. Voronin ◽  
C. Pantea ◽  
T.W. Zerda ◽  
L. Wang ◽  
Y. Zhao
Keyword(s):  
Equation Of State ◽  
Diffraction Study ◽  
X Ray Diffraction ◽  
Thermal Equation ◽  
X Ray ◽  
Thermal Equation Of State

High-pressure study of a nanostructured SnSe1−xSx (x = 0.5) solid solution by in-situ X-ray diffraction and ab-initio calculations

2019 ◽  
Vol 792 ◽  
pp. 536-542
Author(s):  
Larissa da Silva Marques ◽  
Joelma Maria de Oliveira Ferreira ◽  
Querem Hapuque Félix Rebelo ◽  
Angsula Ghosh ◽  
Daniela Menegon Trichês ◽  
...  
Keyword(s):  
Solid Solution ◽  
High Pressure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
X Ray Diffraction ◽  
X Ray ◽  
High Pressure Study

Experimental electron density study of 1,2,4-triazole at 15 K. A comparison with ab initio-calculations

1997 ◽  
Vol 212 (3) ◽  
Author(s):  
P. Fuhrmann ◽  
T. Koritsánszky ◽  
P. Luger
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electron Density ◽  
Diffraction Data ◽  
Topological Properties ◽  
X Ray Diffraction ◽  
X Ray ◽  
Experimental Electron Density ◽  
Density Study

AbstractTopological properties and the Laplacian function of the electron density of 1,2,4-triazole have been determined from X-ray diffraction data collected at 15 K. 1,2,4-Triazole, C

A comparative X-ray diffraction study and ab initio MO calculations on amidocyanopyridinium methylide

1997 ◽  
Vol 406 (1-2) ◽  
pp. 45-49 ◽  
Author(s):  
Yasser Karzazi ◽  
Gheorghe Surpateanu ◽  
Catalin Neculai Lungu ◽  
Gerard Vergoten
Keyword(s):  
Ab Initio ◽  
Diffraction Study ◽  
X Ray Diffraction ◽  
Mo Calculations ◽  
X Ray ◽  
Ab Initio Mo Calculations ◽  
Ab Initio Mo
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