A Solid-State NMR and Computational Study of Sodium and Potassium Tetraphenylborates: 23Na and39K NMR Signatures for Systems Containing Cation−π Interactions

2004 ◽  
Vol 108 (47) ◽  
pp. 10551-10559 ◽  
Author(s):  
Alan Wong ◽  
Robert D. Whitehead ◽  
Zhehong Gan ◽  
Gang Wu
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Computational Study ◽  
Π Interactions ◽  
Sodium And Potassium

Cooperation of multiple CH⋯π interactions to stabilize polymers in aromatic nanochannels as indicated by 2D solid state NMR

2004 ◽  
pp. 768-769 ◽  
Author(s):  
Piero Sozzani ◽  
Angiolina Comotti ◽  
Silvia Bracco ◽  
Roberto Simonutti
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Π Interactions

A Solid-State NMR, X-ray Diffraction, and ab Initio Computational Study of Hydrogen-Bond Structure and Dynamics of Pyrazole-4-Carboxylic Acid Chains

2001 ◽  
Vol 123 (32) ◽  
pp. 7898-7906 ◽  
Author(s):  
Concepción Foces-Foces ◽  
Aurea Echevarría ◽  
Nadine Jagerovic ◽  
Ibon Alkorta ◽  
José Elguero ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Solid State ◽  
Carboxylic Acid ◽  
Ab Initio ◽  
Solid State Nmr ◽  
Computational Study ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure And Dynamics

Template-Aluminosilicate Structures at the Early Stages of Zeolite ZSM-5 Formation. A Combined Preparative, Solid-state NMR, and Computational Study

2005 ◽  
Vol 109 (48) ◽  
pp. 22767-22774 ◽  
Author(s):  
Pieter C. M. M. Magusin ◽  
Vadim E. Zorin ◽  
Alexander Aerts ◽  
Christophe J. Y. Houssin ◽  
Alexei L. Yakovlev ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Computational Study ◽  
Early Stages

scholarly journals Unravelling moisture-induced CO2 chemisorption mechanisms in amine-modified silica sorbents at the molecular scale

2021 ◽  
Author(s):  
Mariana Sardo ◽  
Rui Afonso ◽  
Joanna Juźków ◽  
Marlene Pacheco ◽  
Marta Bordonhos ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Computational Study ◽  
Modified Silica ◽  
Partial Pressures ◽  
Molecular Scale ◽  
Co2 Chemisorption ◽  
Influence Of Water

This work entails a comprehensive solid-state NMR and computational study of the influence of water and CO2 partial pressures on the CO2-adducts formed in amine-grafted silica sorbents. Our approach provides...

Coordination polymers of paramagnetic bis(leucinato)copper(ii) diastereomers: experimental and computational study of the stereoisomerism and conformations

CrystEngComm ◽  
2020 ◽  
Vol 22 (34) ◽  
pp. 5587-5600
Author(s):  
Darko Vušak ◽  
Jelena Pejić ◽  
Mia Jurković ◽  
Gábor Szalontai ◽  
Jasmina Sabolović
Keyword(s):  
Molecular Modeling ◽  
Solid State ◽  
Coordination Polymers ◽  
Solid State Nmr ◽  
Computational Study ◽  
X Ray Diffraction ◽  
X Ray

The syntheses, X-ray diffraction, solid state NMR and molecular modeling determined (dis)similarities between the coordination polymers of two bis(leucinato)copper(ii) diastereomers.

Solid–Solid Transition between Hydrated Racemic Compound and Anhydrous Conglomerate in Na-Ibuprofen: A Combined X-ray Diffraction, Solid-State NMR, Calorimetric, and Computational Study

2014 ◽  
Vol 14 (5) ◽  
pp. 2441-2452 ◽  
Author(s):  
Patrizia Rossi ◽  
Eleonora Macedi ◽  
Paola Paoli ◽  
Luca Bernazzani ◽  
Elisa Carignani ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Computational Study ◽  
Racemic Compound ◽  
X Ray Diffraction ◽  
X Ray
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