A toolbox for improving the workflow of NMR crystallography

2021 ◽  
pp. 101761
Author(s):  
Patrick M.J. Szell ◽  
Sten O. Nilsson Lill ◽  
Helen Blade ◽  
Steven P. Brown ◽  
Leslie P. Hughes
Keyword(s):  
Nmr Crystallography

scholarly journals NMR Crystallography

2017 ◽  
Vol 73 (3) ◽  
pp. 126-127 ◽  
Author(s):  
David L. Bryce ◽  
Francis Taulelle
Keyword(s):  
Nmr Crystallography

scholarly journals Predicting the Crystal Structure of Decitabine by Powder NMR Crystallography: Influence of Long-Range Molecular Packing Symmetry on NMR Parameters

2016 ◽  
Vol 16 (12) ◽  
pp. 7102-7111 ◽  
Author(s):  
Jiri Brus ◽  
Jiri Czernek ◽  
Libor Kobera ◽  
Martina Urbanova ◽  
Sabina Abbrent ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Long Range ◽  
Molecular Packing ◽  
Nmr Parameters ◽  
Nmr Crystallography

NMR crystallography of sodium diphosphates: combining dipolar, shielding, quadrupolar, diffraction, and computational information

CrystEngComm ◽  
2013 ◽  
Vol 15 (43) ◽  
pp. 8727 ◽  
Author(s):  
Frédéric A. Perras ◽  
Ilia Korobkov ◽  
David L. Bryce
Keyword(s):  
Nmr Crystallography

scholarly journals Application of NMR crystallography to the determination of the mechanism of charge-balancing in organocation-templated AlPO STA-2

CrystEngComm ◽  
2013 ◽  
Vol 15 (43) ◽  
pp. 8668 ◽  
Author(s):  
Valerie R. Seymour ◽  
Eike C. V. Eschenroeder ◽  
Maria Castro ◽  
Paul A. Wright ◽  
Sharon E. Ashbrook
Keyword(s):  
Nmr Crystallography ◽  
Charge Balancing

scholarly journals Investigation of structure and dynamics in a photochromic molecular crystal by NMR crystallography

2018 ◽  
Vol 57 (5) ◽  
pp. 230-242
Author(s):  
Benjamin L. Dale ◽  
Nathan R. Halcovitch ◽  
Michael J.G. Peach ◽  
John M. Griffin
Keyword(s):  
Molecular Crystal ◽  
Structure And Dynamics ◽  
Nmr Crystallography

scholarly journals An NMR crystallography investigation of furosemide

2018 ◽  
Vol 57 (5) ◽  
pp. 191-199
Author(s):  
Miri Zilka ◽  
Jonathan R. Yates ◽  
Steven P. Brown
Keyword(s):  
Nmr Crystallography

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.

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