Local-structure effects on 31P NMR chemical shift tensors in solid state

2019 ◽  
Vol 150 (14) ◽  
pp. 144706 ◽  
Author(s):  
Ivan Yu. Chernyshov ◽  
Mikhail V. Vener ◽  
Ilya G. Shenderovich
Keyword(s):  
Solid State ◽  
Chemical Shift ◽  
Local Structure ◽  
31P Nmr ◽  
Nmr Chemical Shift ◽  
Chemical Shift Tensors

scholarly journals Ab initio computation for solid-state 31P NMR of inorganic phosphates: revisiting X-ray structures

2019 ◽  
Vol 21 (19) ◽  
pp. 10070-10074 ◽  
Author(s):  
Kartik Pilar ◽  
Zeyu Deng ◽  
Molleigh B. Preefer ◽  
Joya A. Cooley ◽  
Raphaële Clément ◽  
...  
Keyword(s):  
Solid State ◽  
Chemical Shift ◽  
Ab Initio ◽  
Crystal Structures ◽  
31P Nmr ◽  
Geometry Optimization ◽  
Chemical Shift Tensors ◽  
X Ray ◽  
Ab Initio Computation ◽  
Inorganic Phosphates

The complete 31P NMR chemical shift tensors for 22 inorganic phosphates obtained from ab initio computation are found to correspond closely to experimentally obtained parameters. The cases where correspondence is significantly improved upon geometry optimization point to the crystal structures requiring correction.

Hydrogen Bonding Effects on the13C NMR Chemical Shift Tensors of Some Amino Acids in the Solid State

1997 ◽  
Vol 35 (9) ◽  
pp. 606-608 ◽  
Author(s):  
Guang Zheng ◽  
Liming Wang ◽  
Jianzhi Hu ◽  
Xiaodong Zhang ◽  
Lianfang Shen ◽  
...  
Keyword(s):  
Amino Acids ◽  
Hydrogen Bonding ◽  
Solid State ◽  
Chemical Shift ◽  
Nmr Chemical Shift ◽  
Chemical Shift Tensors

31P NMR Chemical Shift Tensors: Windows into Ruthenium Phosphinidene Complex Electronic Structures

2021 ◽  
Author(s):  
Wesley J. Transue ◽  
Yizhe Dai ◽  
Martin-Louis Y. Riu ◽  
Gang Wu ◽  
Christopher C. Cummins
Keyword(s):  
Chemical Shift ◽  
Electronic Structures ◽  
31P Nmr ◽  
Nmr Chemical Shift ◽  
Chemical Shift Tensors

Nitrogen-15 NMR chemical shift tensors and conformation of some nitrogen-15-labeled polypeptides in the solid state

1989 ◽  
Vol 22 (6) ◽  
pp. 2860-2863 ◽  
Author(s):  
Akira Shoji ◽  
Takuo Ozaki ◽  
Teruaki Fujito ◽  
Kenzo Deguchi ◽  
Shinji Ando ◽  
...  
Keyword(s):  
Solid State ◽  
Chemical Shift ◽  
Nmr Chemical Shift ◽  
Chemical Shift Tensors

scholarly journals Modeling Small Structural and Environmental Differences in Solids with 15 N NMR Chemical Shift Tensors

ChemPhysChem ◽  
2021 ◽  
Author(s):  
Luther Wang ◽  
Alexander B. Elliott ◽  
Sean D. Moore ◽  
Gregory J. O. Beran ◽  
Joshua D. Hartman ◽  
...  
Keyword(s):  
Chemical Shift ◽  
Nmr Chemical Shift ◽  
Chemical Shift Tensors
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