NMR Crystallography of Campho[2,3-c]pyrazole (Z′ = 6): Combining High-Resolution1H-13C Solid-State MAS NMR Spectroscopy and GIPAW Chemical-Shift Calculations

2010 ◽  
Vol 114 (38) ◽  
pp. 10435-10442 ◽  
Author(s):  
Amy L. Webber ◽  
Lyndon Emsley ◽  
Rosa M. Claramunt ◽  
Steven P. Brown
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Chemical Shift ◽  
Mas Nmr ◽  
Nmr Crystallography ◽  
Chemical Shift Calculations

scholarly journals Investigations of Uranyl Fluoride Sesquihydrate (UO2F2·1.57H2O): Combining 19F Solid-State MAS NMR Spectroscopy and GIPAW Chemical Shift Calculations

2018 ◽  
Vol 122 (34) ◽  
pp. 6873-6878 ◽  
Author(s):  
Michael A. DeVore ◽  
Christopher A. Klug ◽  
Maria R. Kriz ◽  
Lindsay E. Roy ◽  
Matthew S. Wellons
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Chemical Shift ◽  
Mas Nmr ◽  
Chemical Shift Calculations

Benzoxazine Oligomers:  Evidence for a Helical Structure from Solid-State NMR Spectroscopy and DFT-Based Dynamics and Chemical Shift Calculations

2003 ◽  
Vol 125 (19) ◽  
pp. 5792-5800 ◽  
Author(s):  
Gillian R. Goward ◽  
Daniel Sebastiani ◽  
Ingo Schnell ◽  
Hans Wolfgang Spiess ◽  
Ho-Dong Kim ◽  
...  
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Chemical Shift ◽  
Solid State Nmr ◽  
Helical Structure ◽  
Solid State Nmr Spectroscopy ◽  
Chemical Shift Calculations

Investigating Sorption on Iron−Oxyhydroxide Soil Minerals by Solid-State NMR Spectroscopy:  A6Li MAS NMR Study of Adsorption and Absorption on Goethite

2005 ◽  
Vol 109 (39) ◽  
pp. 18310-18315 ◽  
Author(s):  
Ulla Gro Nielsen ◽  
Younkee Paik ◽  
Keinia Julmis ◽  
Martin A. A. Schoonen ◽  
Richard J. Reeder ◽  
...  
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Solid State Nmr ◽  
Mas Nmr ◽  
Iron Oxyhydroxide ◽  
Soil Minerals ◽  
Solid State Nmr Spectroscopy ◽  
Nmr Study

scholarly journals Combining solid-state NMR spectroscopy with first-principles calculations – a guide to NMR crystallography

2016 ◽  
Vol 52 (45) ◽  
pp. 7186-7204 ◽  
Author(s):  
Sharon E. Ashbrook ◽  
David McKay
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Dft Calculations ◽  
First Principles ◽  
Solid State Nmr ◽  
Nmr Spectra ◽  
First Principles Calculations ◽  
Recent Developments ◽  
Future Potential ◽  
Nmr Crystallography

DFT calculations are an important tool in assigning and interpreting NMR spectra of solids: we discuss recent developments and their future potential in the context of NMR crystallography.

Solid State Behaviour of "Dynamic Compounds": A 13C CO/MAS NMR Spectroscopy Study

Heterocycles ◽  
1987 ◽  
Vol 26 (2) ◽  
pp. 333 ◽  
Author(s):  
Jos� Elguero ◽  
Robert Faure ◽  
Emile-Jean Vincent ◽  
Andr� Rousseau
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Mas Nmr ◽  
Spectroscopy Study ◽  
State Behaviour

ChemInform Abstract: DYNAMIC INTERMOLECULAR TAUTOMERISM OF 3,5-DIMETHYLPYRAZOLE IN THE SOLID STATE BY CARBON-13 CP/MAS NMR SPECTROSCOPY AND X-RAY CRYSTALLOGRAPHY

1985 ◽  
Vol 16 (51) ◽  
Author(s):  
A. BALDY ◽  
J. ELGUERO ◽  
R. FAURE ◽  
M. PIERROT ◽  
E.-J. VINCENT
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Mas Nmr ◽  
X Ray ◽  
X Ray Crystallography ◽  
Cp Mas Nmr

The 2D QUADSHIFT experiment: Separation of deuterium chemical shifts and quadrupolar couplings by two-dimensional solid-state MAS NMR spectroscopy

1994 ◽  
Vol 32 (7) ◽  
pp. 433-435 ◽  
Author(s):  
Narayanan Chandrakumar ◽  
Gero von Fircks ◽  
Harald Günther
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Chemical Shifts ◽  
Mas Nmr ◽  
Two Dimensional

Structural characterization of ionomer glasses by multinuclear solid state MAS-NMR spectroscopy

2007 ◽  
Vol 353 (3) ◽  
pp. 237-243 ◽  
Author(s):  
Shigeki Matsuya ◽  
Artemis Stamboulis ◽  
Robert G. Hill ◽  
Robert V. Law
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Structural Characterization ◽  
Mas Nmr

Solid-State Molecular Dynamics of (Ph3Si)Si(SiMe3)3 Studied by Variable Temperature 13C and 29Si MAS NMR Spectroscopy

1999 ◽  
pp. 147-156
Author(s):  
Xavier Helluy ◽  
Jörg Kümmerlen ◽  
Christoph Marschner ◽  
Angelika Sebald
Keyword(s):  
Molecular Dynamics ◽  
Solid State ◽  
Nmr Spectroscopy ◽  
Variable Temperature ◽  
Mas Nmr ◽  
29Si Mas Nmr
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