Inelastic and elastic neutron scattering studies of the vibrational and reorientational dynamics, crystal structure and solid–solid phase transition in [Mn(OS(CH 3 ) 2 ) 6 ](ClO 4 ) 2 supported by theoretical (DFT) calculations

2015 ◽  
Vol 145 ◽  
pp. 368-375 ◽  
Author(s):  
Elżbieta Szostak ◽  
Joanna Hetmańczyk ◽  
Anna Migdał-Mikuli
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Dft Calculations ◽  
Neutron Scattering ◽  
Solid Phase ◽  
Elastic Neutron ◽  
Elastic Neutron Scattering ◽  
Solid Phase Transition ◽  
Reorientational Dynamics

Crystal structure, solid-solid phase transition and thermal properties of [Mn(H2O)2](ReO4)2

2017 ◽  
Vol 70 (7) ◽  
pp. 1190-1206 ◽  
Author(s):  
Joanna Hetmańczyk ◽  
Łukasz Hetmańczyk ◽  
Anna Migdał-Mikuli ◽  
Edward Mikuli
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Thermal Properties ◽  
Solid Phase ◽  
Solid Phase Transition

On the relaxation dynamics in active pharmaceutical ingredients: solid-state 1H NMR, quasi-elastic neutron scattering and periodic DFT study of acebutolol hydrochloride

RSC Advances ◽  
2015 ◽  
Vol 5 (71) ◽  
pp. 57502-57514 ◽  
Author(s):  
A. Pajzderska ◽  
K. Drużbicki ◽  
A. Kiwilsza ◽  
M. A. Gonzalez ◽  
M. Jarek ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Solid State ◽  
Dft Calculations ◽  
Neutron Scattering ◽  
Active Pharmaceutical Ingredients ◽  
Relaxation Dynamics ◽  
Elastic Neutron ◽  
Pharmaceutical Ingredients ◽  
Elastic Neutron Scattering ◽  
Periodic Dft

Molecular dynamics of acebutolol hydrochloride was thoroughly explored by combining QENS and NMR experiments with solid-state DFT calculations.

Crystal Structure and Solid–Solid Phase Transition of 1-Dodecylamine Hydrobromide

2010 ◽  
Vol 224 (9) ◽  
pp. 1371-1388 ◽  
Author(s):  
Yupu Liu ◽  
Youying Di ◽  
Wenyan Dan ◽  
Donghua He
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Solid Phase ◽  
Solid Phase Transition

Elastic neutron scattering of the "phase ordering" phase transition inHg3−δAsF6

1978 ◽  
Vol 18 (7) ◽  
pp. 3645-3656 ◽  
Author(s):  
J. P. Pouget ◽  
G. Shirane ◽  
J. M. Hastings ◽  
A. J. Heeger ◽  
N. D. Miro ◽  
...  
Keyword(s):  
Phase Transition ◽  
Neutron Scattering ◽  
Elastic Neutron ◽  
Elastic Neutron Scattering ◽  
Phase Ordering

Crystal structure and solid–solid phase transition of the complex (C11H18NO)2CuCl4(s)

2010 ◽  
Vol 102 (1) ◽  
pp. 291-296 ◽  
Author(s):  
W. Y. Dan ◽  
Y. Y. Di ◽  
Y. X. Kong ◽  
Q. Wang ◽  
W. W. Yang ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Solid Phase ◽  
Solid Phase Transition

Raman and Neutron Scattering Study of Partially Deuterated L-Alanine: Evidence of a Solid-Solid Phase Transition

ChemPhysChem ◽  
2009 ◽  
Vol 10 (18) ◽  
pp. 3337-3343 ◽  
Author(s):  
Joelma M. de Souza ◽  
Paulo T. C. Freire ◽  
Dimitri N. Argyriou ◽  
John A. Stride ◽  
Mariette Barthès ◽  
...  
Keyword(s):  
Phase Transition ◽  
Neutron Scattering ◽  
Solid Phase ◽  
Scattering Study ◽  
Solid Phase Transition ◽  
Neutron Scattering Study
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