Study on Potassiumiso-Propylxanthate and Its Decomposition Products: Experimental13C CP/MAS NMR Combined with DFT Calculations

2011 ◽  
Vol 115 (8) ◽  
pp. 1396-1407 ◽  
Author(s):  
Anna-Carin Larsson ◽  
Sven Öberg
Keyword(s):  
Dft Calculations ◽  
Mas Nmr ◽  
Decomposition Products ◽  
Cp Mas Nmr

Combined experimental and computational NMR study of crystalline and amorphous zeolitic imidazolate frameworks

2015 ◽  
Vol 17 (38) ◽  
pp. 25191-25196 ◽  
Author(s):  
Emma F. Baxter ◽  
Thomas D. Bennett ◽  
Caroline Mellot-Draznieks ◽  
Christel Gervais ◽  
Frédéric Blanc ◽  
...  
Keyword(s):  
High Resolution ◽  
Dft Calculations ◽  
Nmr Spectra ◽  
Mas Nmr ◽  
Zeolitic Imidazolate Frameworks ◽  
Nmr Study ◽  
Cp Mas Nmr

High resolution 13C and 15N CP MAS NMR spectra of ZIF-4, ZIF-8 and ZIF-zni are assigned on the basis of DFT calculations on the geometry-optimized structures.

Ring inversion in 4-hydroxy-1-methylpiperidine betaine studied by X-ray, FTIR, 13C CP MAS NMR and DFT calculations

2009 ◽  
Vol 917 (2-3) ◽  
pp. 76-83 ◽  
Author(s):  
Z. Dega-Szafran ◽  
G. Dutkiewicz ◽  
Z. Fojud ◽  
Z. Kosturkiewicz ◽  
M. Szafran
Keyword(s):  
Dft Calculations ◽  
Mas Nmr ◽  
Ring Inversion ◽  
X Ray ◽  
Cp Mas Nmr ◽  
13C Cp Mas Nmr

13C CP MAS NMR and GIAO-CHF/DFT calculations of flavonoids: Morin, kaempferol, tricin, genistein, formononetin and 3,7-dihydroxyflavone

2008 ◽  
Vol 873 (1-3) ◽  
pp. 109-116 ◽  
Author(s):  
Agnieszka Zielińska ◽  
Katarzyna Paradowska ◽  
Jacek Jakowski ◽  
Iwona Wawer
Keyword(s):  
Dft Calculations ◽  
Mas Nmr ◽  
Cp Mas Nmr ◽  
13C Cp Mas Nmr

scholarly journals Structural insights into the polymorphism of bismuth(III) di-n-butyldithiocarbamate by X-ray diffraction, solid-state (13C/15N) CP-MAS NMR and DFT calculations

Polyhedron ◽  
2017 ◽  
Vol 129 ◽  
pp. 123-132 ◽  
Author(s):  
Vasantha Gowda ◽  
Bipul Sarma ◽  
Risto S. Laitinen ◽  
Anna-Carin Larsson ◽  
Alexander V. Ivanov ◽  
...  
Keyword(s):  
Solid State ◽  
Dft Calculations ◽  
Mas Nmr ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cp Mas Nmr ◽  
Structural Insights

Hydration effects in the carbon-13 CP/MAS NMR spectra of solid (1 →3)-β-D-glucans

1984 ◽  
Vol 17 (3) ◽  
pp. 501-502 ◽  
Author(s):  
C. A. Fyfe ◽  
P. J. Stephenson ◽  
M. G. Taylor ◽  
T. L. Bluhm ◽  
Y. Deslandes ◽  
...  
Keyword(s):  
Nmr Spectra ◽  
Mas Nmr ◽  
Cp Mas Nmr

High-Field1H MAS and15N CP-MAS NMR Studies of Alanine Tripeptides and Oligomers:  Distinction of Antiparallel and Parallel β-Sheet Structures and Two Crystallographically Independent Molecules

2007 ◽  
Vol 111 (30) ◽  
pp. 9172-9178 ◽  
Author(s):  
Yu Suzuki ◽  
Michi Okonogi ◽  
Kazuo Yamauchi ◽  
Hiromichi Kurosu ◽  
Masataka Tansho ◽  
...  
Keyword(s):  
Mas Nmr ◽  
Nmr Studies ◽  
Independent Molecules ◽  
Cp Mas Nmr ◽  
Β Sheet

scholarly journals Interactions of Fullerenes and Calixarenes in the Solid State Studied with 13C CP-MAS NMR

1994 ◽  
Vol 116 (15) ◽  
pp. 6965-6966 ◽  
Author(s):  
Rene M. Williams ◽  
Jurriaan M. Zwier ◽  
Jan W. Verhoeven ◽  
Gerda H. Nachtegaal ◽  
Arno P. M. Kentgens
Keyword(s):  
Solid State ◽  
Mas Nmr ◽  
Cp Mas Nmr ◽  
13C Cp Mas Nmr

Adaptation of27Al CP/MAS NMR to the Investigation of the Adsorption of Molybdate Ions at the γ-Al2O3/Water Interface

1998 ◽  
Vol 102 (36) ◽  
pp. 7023-7027 ◽  
Author(s):  
Dimitri Mertens de Wilmar ◽  
Olivier Clause ◽  
Jean-Baptiste d'Espinose de la Caillerie
Keyword(s):  
Mas Nmr ◽  
Water Interface ◽  
Cp Mas Nmr
Sign in / Sign up

Export Citation Format

Share Document