The molecular structure and dynamics of 2-aminopyridine-3-carboxylic acid by X-ray diffraction at 100K, inelastic neutron scattering, infrared, Raman spectroscopy and from first principles calculations

2007 ◽  
Vol 437 (1-3) ◽  
pp. 32-37 ◽  
Author(s):  
A. Pawlukojć ◽  
W. Starosta ◽  
J. Leciejewicz ◽  
I. Natkaniec ◽  
D. Nowak
Keyword(s):  
Molecular Structure ◽  
Raman Spectroscopy ◽  
Carboxylic Acid ◽  
First Principles ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
First Principles Calculations ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure And Dynamics

Study of Phase Transformation in BaTe2O6 by in Situ High-Pressure X-ray Diffraction, Raman Spectroscopy, and First-Principles Calculations

2015 ◽  
Vol 55 (1) ◽  
pp. 227-238 ◽  
Author(s):  
K. K. Mishra ◽  
S. Nagabhusan Achary ◽  
Sharat Chandra ◽  
T. R. Ravindran ◽  
K. K. Pandey ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
High Pressure ◽  
Phase Transformation ◽  
First Principles ◽  
First Principles Calculations ◽  
X Ray Diffraction ◽  
X Ray

Anharmonic phonons of NaZr2(PO4)3studied by Raman spectroscopy, first-principles calculations, and x-ray diffraction

2012 ◽  
Vol 86 (14) ◽  
Author(s):  
K. Kamali ◽  
T. R. Ravindran ◽  
C. Ravi ◽  
Y. Sorb ◽  
N. Subramanian ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
First Principles ◽  
First Principles Calculations ◽  
X Ray Diffraction ◽  
X Ray

scholarly journals Anomalous lattice behavior of vanadium pentaoxide (V2O5): X-ray diffraction, inelastic neutron scattering and ab initio lattice dynamics

2017 ◽  
Vol 19 (27) ◽  
pp. 17967-17984 ◽  
Author(s):  
Baltej Singh ◽  
Mayanak Kumar Gupta ◽  
Sanjay Kumar Mishra ◽  
Ranjan Mittal ◽  
P. U. Sastry ◽  
...  
Keyword(s):  
Neutron Scattering ◽  
Ab Initio ◽  
Lattice Dynamics ◽  
Inelastic Neutron Scattering ◽  
Van Der Waals ◽  
Inelastic Neutron ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure And Dynamics ◽  
Vanadium Pentaoxide

van der Waals and Hubbard interactions are found to play an important role in the structure and dynamics of α-V2O5.

ChemInform Abstract: Study of Phase Transformation in BaTe2O6by in situ High-Pressure X-Ray Diffraction, Raman Spectroscopy, and First-Principles Calculations.

ChemInform ◽  
2016 ◽  
Vol 47 (13) ◽  
pp. no-no
Author(s):  
K. K. Mishra ◽  
S. Nagabhusan Achary ◽  
Sharat Chandra ◽  
T. R. Ravindran ◽  
K. K. Pandey ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
High Pressure ◽  
Phase Transformation ◽  
First Principles ◽  
First Principles Calculations ◽  
X Ray Diffraction ◽  
X Ray
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