scholarly journals Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations

2017 ◽  
Vol 19 (4) ◽  
pp. 2900-2907 ◽  
Author(s):  
Martin Dračínský ◽  
Jan Storch ◽  
Vladimír Církva ◽  
Ivana Císařová ◽  
Jan Sýkora
Keyword(s):  
Nmr Spectroscopy ◽  
Dft Calculations ◽  
X Ray Diffraction ◽  
Internal Dynamics ◽  
X Ray ◽  
Solid Phases ◽  
Helical Molecules

Unexpected flexibility of helical molecules is observed both in solution and solid phases.

Structure of 1-methyl-2-oxo-pyrido[2,1b][3,4]dihydropyrimidinium bromide studied by X-ray diffraction, FTIR and NMR spectroscopy and DFT calculations

2007 ◽  
Vol 843 (1-3) ◽  
pp. 107-115 ◽  
Author(s):  
M. Szafran ◽  
I. Kowalczyk ◽  
E. Bartoszak-Adamska ◽  
M. Jaskólski ◽  
B. Nowak-Wydra
Keyword(s):  
Nmr Spectroscopy ◽  
Dft Calculations ◽  
X Ray Diffraction ◽  
X Ray

Study of Molecular Dynamics and the Solid State Phase Transition Mechanism for Unsymmetrical Thiopyrophosphate Using X-ray Diffraction, DFT Calculations and NMR Spectroscopy

2006 ◽  
Vol 110 (2) ◽  
pp. 761-771 ◽  
Author(s):  
Marek J. Potrzebowski ◽  
Grzegorz D. Bujacz ◽  
Anna Bujacz ◽  
Sebastian Olejniczak ◽  
Paweł Napora ◽  
...  
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Solid State ◽  
Nmr Spectroscopy ◽  
Dft Calculations ◽  
X Ray Diffraction ◽  
X Ray ◽  
Transition Mechanism

Polymorphism ofN,N′′-Diacetylbiuret Studied by Solid-State13C and15N NMR Spectroscopy, DFT Calculations, and X-ray Diffraction

2007 ◽  
Vol 13 (21) ◽  
pp. 6139-6149 ◽  
Author(s):  
Sven Macholl ◽  
Dieter Lentz ◽  
Frank Börner ◽  
Gerd Buntkowsky
Keyword(s):  
Nmr Spectroscopy ◽  
Dft Calculations ◽  
X Ray Diffraction ◽  
X Ray

Conformational behaviour of 3-methyl-4-(4-methylbenzoyl)-1-phenyl-pyrazol-5-one: a sudden story of three desmotropes

RSC Advances ◽  
2015 ◽  
Vol 5 (90) ◽  
pp. 73859-73867 ◽  
Author(s):  
Vanya B. Kurteva ◽  
Boris L. Shivachev ◽  
Rositsa P. Nikolova ◽  
Svetlana D. Simova ◽  
Liudmil M. Antonov ◽  
...  
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Dft Calculations ◽  
Gas Phase ◽  
X Ray Diffraction ◽  
X Ray

The conformational behaviour of 3-methyl-4-(4-methylbenzoyl)-1-phenyl-pyrazol-5-one was studied using a combination of X-ray diffraction, NMR spectroscopy in solution and the solid state, and DFT calculations in the gas phase.

Structural studies of N-(2′-substituted phenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximides by X-ray diffraction and NMR spectroscopy—proofs for CH/π interactions in liquid and solid phases

2003 ◽  
Vol 27 (7) ◽  
pp. 1095-1101 ◽  
Author(s):  
Gisbert Grossmann ◽  
Marek J. Potrzebowski ◽  
Sebastian Olejniczak ◽  
Natasza E. Ziółkowska ◽  
Grzegorz D. Bujacz ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Structural Studies ◽  
X Ray Diffraction ◽  
X Ray ◽  
Π Interactions ◽  
Solid Phases ◽  
Liquid And Solid Phases
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