14N and81Br Quadrupolar Nuclei as Sensitive NMR Probes ofn-Alkyltrimethylammonium Bromide Crystal Structures. An Experimental and Theoretical Study

2009 ◽  
Vol 113 (35) ◽  
pp. 11906-11920 ◽  
Author(s):  
Bruno Alonso ◽  
Dominique Massiot ◽  
Pierre Florian ◽  
Henrich H. Paradies ◽  
Philippe Gaveau ◽  
...  
Keyword(s):  
Crystal Structures ◽  
Theoretical Study ◽  
Quadrupolar Nuclei

A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement

2021 ◽  
Author(s):  
Ksenia V. Drozd ◽  
Alex N. Manin ◽  
Alexander P. Voronin ◽  
Denis Boycov ◽  
Churakov Andrei ◽  
...  
Keyword(s):  
Crystal Structures ◽  
Theoretical Study ◽  
Molecular Crystals ◽  
Dicarboxylic Acids ◽  
Antifungal Drug ◽  
Crystal Forms ◽  
Dft Computations ◽  
Solubility Improvement ◽  
Aliphatic Dicarboxylic Acids ◽  
Formation Thermodynamics

Experimental and theoretical screening of multi-component crystal forms of miconazole (MCL), an antifungal drug, with ten aliphatic dicarboxylic acids was performed. Seven multi-component molecular crystals were isolated and identified by...

New functionalized tetrathiafulvalenes: X-ray crystal structures and physico-chemical properties of TTF–C(O)NMe2and TTF–C(O)–O–C4H9: a joint experimental and theoretical study

1995 ◽  
Vol 5 (10) ◽  
pp. 1689-1696 ◽  
Author(s):  
Andrei S. Batsanov ◽  
Martin R. Bryce ◽  
Julie N. Heaton ◽  
Adrian J. Moore ◽  
Peter J. Skabara ◽  
...  
Keyword(s):  
Crystal Structures ◽  
Theoretical Study ◽  
Chemical Properties ◽  
X Ray ◽  
Physico Chemical
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