scholarly journals The accuracy challenge of the DFT-based molecular assignment of 13C MAS NMR characterization of surface intermediates in zeolite catalysis

2020 ◽  
Vol 22 (41) ◽  
pp. 24004-24013
Author(s):  
Alexander A. Kolganov ◽  
Anton A. Gabrienko ◽  
Ivan Yu. Chernyshov ◽  
Alexander G. Stepanov ◽  
Evgeny A. Pidko

The influence of model and method choice on the DFT-computed NMR signatures of intrazeolite methoxide intermediates was investigated.

Author(s):  
Herve Goure Doubi ◽  
Valerie Montouillout ◽  
Gisele L Lecomte Nana ◽  
Benoit Nait Ali ◽  
Leon Koffi Konan ◽  
...  

2020 ◽  
Vol 361 ◽  
pp. 610-616 ◽  
Author(s):  
Denise Felix da Silva ◽  
Camilla Yara Langer Ogawa ◽  
Francielle Sato ◽  
Antonio Medina Neto ◽  
Flemming Hofmann Larsen ◽  
...  

2012 ◽  
Vol 42 ◽  
pp. 51-61 ◽  
Author(s):  
M. Cuisinier ◽  
J.-F. Martin ◽  
P. Moreau ◽  
T. Epicier ◽  
R. Kanno ◽  
...  
Keyword(s):  
Mas Nmr ◽  

1994 ◽  
Vol 148 (1) ◽  
pp. 76-83 ◽  
Author(s):  
E.C. Decanio ◽  
J.C. Edwards ◽  
J.W. Bruno

2006 ◽  
Vol 90 (1-3) ◽  
pp. 246-250 ◽  
Author(s):  
Jian Jiao ◽  
Wei Wang ◽  
Bogdan Sulikowski ◽  
Jens Weitkamp ◽  
Michael Hunger

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