scholarly journals Improved Understanding of Atomic Ordering in Y4SixAl2–xO9–xNx Materials Using a Combined Solid-State NMR and Computational Approach

2020 ◽  
Vol 124 (43) ◽  
pp. 23976-23987
Author(s):  
V. R. Seymour ◽  
J. M. Griffin ◽  
B. E. Griffith ◽  
S. J. Page ◽  
D. Iuga ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Computational Approach ◽  
Atomic Ordering

Combined Solid-State NMR and Computational Approach for Probing the CO2 Binding Sites in a Porous-Organic Polymer

2017 ◽  
Vol 121 (16) ◽  
pp. 8850-8856 ◽  
Author(s):  
Michele R. Chierotti ◽  
Muhamed Amin ◽  
Youssef S. Hassan ◽  
Rana R. Haikal ◽  
Claudio Garino ◽  
...  
Keyword(s):  
Solid State ◽  
Binding Sites ◽  
Solid State Nmr ◽  
Computational Approach ◽  
Organic Polymer ◽  
Porous Organic Polymer

scholarly journals Measuring multiple 17O–13C J-couplings in naphthalaldehydic acid: a combined solid state NMR and density functional theory approach

2020 ◽  
Vol 22 (6) ◽  
pp. 3400-3413 ◽  
Author(s):  
Gregory J. Rees ◽  
Stephen P. Day ◽  
Kristian E. Barnsley ◽  
Dinu Iuga ◽  
Jonathan R. Yates ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Solid State ◽  
Solid State Nmr ◽  
Density Functional ◽  
Computational Approach ◽  
Theory Approach ◽  
Functional Theory

A combined multinuclear solid-state NMR and a density functional theory computational approach, with SIMPSON simulations, is evaluated to determine the four heteronuclear 1J(13C,17O) couplings in naphthalaldehydic acid.

Unraveling the Hydrogen Bond Network in a Theophylline–Pyridoxine Salt Cocrystal by a Combined X-ray Diffraction, Solid-State NMR, and Computational Approach

2018 ◽  
Vol 18 (4) ◽  
pp. 2225-2233 ◽  
Author(s):  
Federica Rossi ◽  
Paolo Cerreia Vioglio ◽  
Simone Bordignon ◽  
Valeria Giorgio ◽  
Carlo Nervi ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Solid State ◽  
Solid State Nmr ◽  
Computational Approach ◽  
Hydrogen Bond Network ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bond Network

A useful tool for the elaboration of new solid-state NMR experiments: PULSAR

1995 ◽  
Vol 92 ◽  
pp. 1939-1942 ◽  
Author(s):  
JP Amoureux ◽  
C Fernandez ◽  
Y Dumazy
Keyword(s):  
Solid State ◽  
Solid State Nmr

Quantitative analysis by 13C solid-state NMR of eumelanins

1994 ◽  
Vol 91 ◽  
pp. 881-887 ◽  
Author(s):  
M Hervé ◽  
J Hirschinger ◽  
P Granger ◽  
P Gilard ◽  
N Goetz
Keyword(s):  
Quantitative Analysis ◽  
Solid State ◽  
Solid State Nmr
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