ChemInform Abstract: Structure and Dynamics of the Functionalized MOF Type UiO-66(Zr): NMR and Dielectric Relaxation Spectroscopies Coupled with DFT Calculations.

ChemInform ◽  
2012 ◽  
Vol 43 (32) ◽  
pp. no-no
Author(s):  
Sabine Devautour-Vinot ◽  
Guillaume Maurin ◽  
Christian Serre ◽  
Patricia Horcajada ◽  
Denise Paula da Cunha ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Dielectric Relaxation ◽  
Structure And Dynamics ◽  
Abstract Structure

Structure and Dynamics of the Functionalized MOF Type UiO-66(Zr): NMR and Dielectric Relaxation Spectroscopies Coupled with DFT Calculations

2012 ◽  
Vol 24 (11) ◽  
pp. 2168-2177 ◽  
Author(s):  
Sabine Devautour-Vinot ◽  
Guillaume Maurin ◽  
Christian Serre ◽  
Patricia Horcajada ◽  
Denise Paula da Cunha ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Dielectric Relaxation ◽  
Structure And Dynamics

A combined theoretical and experimental EXAFS study of the structure and dynamics of Au147 nanoparticles

2016 ◽  
Vol 6 (18) ◽  
pp. 6879-6885 ◽  
Author(s):  
Zhiyao Duan ◽  
Yuanyuan Li ◽  
Janis Timoshenko ◽  
Samuel T. Chill ◽  
Rachel M. Anderson ◽  
...  
Keyword(s):  
Thermal Properties ◽  
Dft Calculations ◽  
Structure And Dynamics ◽  
Exafs Study

We demonstrated the capability of combined EXAFS and DFT calculations for characterizing the structural and thermal properties of Au147 clusters.

ChemInform Abstract: Structure and Dynamics of Ammonium Borohydride.

ChemInform ◽  
2011 ◽  
Vol 42 (10) ◽  
pp. no-no
Author(s):  
Roxana Flacau ◽  
Christopher I. Ratcliffe ◽  
Serge Desgreniers ◽  
Yansun Yao ◽  
Dennis D. Klug ◽  
...  
Keyword(s):  
Structure And Dynamics ◽  
Abstract Structure

ChemInform Abstract: Structure and Dynamics of Lithium-Intercalated SnS2. 6,7Li and 119Sn Solid State NMR.

ChemInform ◽  
2010 ◽  
Vol 28 (46) ◽  
pp. no-no
Author(s):  
T. PIETRASS ◽  
F. TAULELLE ◽  
P. LAVELA ◽  
J. OLIVIER-FOURCADE ◽  
J.- C. JUMAS ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Structure And Dynamics ◽  
Abstract Structure

Structure determination of Ba5AlF13 by coupling electron, synchrotron and neutron powder diffraction, solid-state NMR and ab initio calculations

2016 ◽  
Vol 45 (39) ◽  
pp. 15565-15574 ◽  
Author(s):  
Charlotte Martineau ◽  
Mathieu Allix ◽  
Matthew R. Suchomel ◽  
Florence Porcher ◽  
François Vivet ◽  
...  
Keyword(s):  
Solid State ◽  
Dft Calculations ◽  
Powder Diffraction ◽  
Solid State Nmr ◽  
Neutron Powder Diffraction ◽  
Complementary Information ◽  
Electron Synchrotron ◽  
Structure And Dynamics ◽  
Fast Mas

The structure and dynamics of Ba5AlF13 are resolved by combining complementary information from powder diffraction, 27Al and 19F ultra-fast MAS NMR and DFT calculations.

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