Adenine ribbon stabilized by Watson–Crick and Hoogsteen hydrogen Bonds: WFT and DFT study

2010 ◽  
Vol 12 (12) ◽  
pp. 2888 ◽  
Author(s):  
Wiktor Zierkiewicz ◽  
Danuta Michalska ◽  
Pavel Hobza
Keyword(s):  
Hydrogen Bonds ◽  
Dft Study ◽  
Hoogsteen Hydrogen Bonds

A DFT study of RuO4 interactions with porous materials: metal–organic frameworks (MOFs) and zeolites

2018 ◽  
Vol 20 (24) ◽  
pp. 16770-16776 ◽  
Author(s):  
Siwar Chibani ◽  
Michael Badawi ◽  
Thierry Loiseau ◽  
Christophe Volkringer ◽  
Laurent Cantrel ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Porous Materials ◽  
Metal Organic Frameworks ◽  
Dft Study ◽  
Hydrated Form ◽  
Metal Organic ◽  
First Time ◽  
Potential Use ◽  
Multiple Hydrogen Bonds

The potential use of zeolite and MOF materials for the capture of RuO4 has been investigated for the first time. A hydrated form of HKUST-1 could be a promising sorbent due to its ability to form multiple hydrogen bonds.

New uranium(vi) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study

CrystEngComm ◽  
2020 ◽  
Vol 22 (34) ◽  
pp. 5678-5689
Author(s):  
Ewelina Grabias ◽  
Bogdan Tarasiuk ◽  
Anna Dołęga ◽  
Marek Majdan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Spectroscopic Characterization ◽  
Dft Study ◽  
Ionic Interactions ◽  
Network Of Hydrogen Bonds

U(vi) and isothiouronium salts create a strong charge-assisted network of hydrogen bonds and ionic interactions.

Intramolecular hydrogen bonds in the sulfonamide derivatives of oxamide, dithiooxamide, and biuret. FT-IR and DFT study, AIM and NBO analysis

Tetrahedron ◽  
2010 ◽  
Vol 66 (44) ◽  
pp. 8551-8556 ◽  
Author(s):  
B.A. Shainyan ◽  
N.N. Chipanina ◽  
T.N. Aksamentova ◽  
L.P. Oznobikhina ◽  
G.N. Rosentsveig ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Nbo Analysis ◽  
Dft Study ◽  
Intramolecular Hydrogen Bonds ◽  
Ft Ir ◽  
Intramolecular Hydrogen ◽  
Derivatives Of ◽  
Aim And Nbo
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