Hydrogen bonding in the pyrimidine/ formamide system: a concentration-dependent Raman and DFT study

2010 ◽  
Vol 41 (12) ◽  
pp. 1714-1719 ◽  
Author(s):  
Sunil K. Srivastava ◽  
Sebastian Schlücker ◽  
Wagner A. Alves
Keyword(s):  
Hydrogen Bonding ◽  
Dft Study ◽  
System A

scholarly journals The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions

CrystEngComm ◽  
2015 ◽  
Vol 17 (20) ◽  
pp. 3768-3771 ◽  
Author(s):  
Antonio Bauzá ◽  
Antonio Frontera ◽  
Tiddo J. Mooibroek ◽  
Jan Reedijk
Keyword(s):  
Hydrogen Bonding ◽  
Electron Donor ◽  
Molecular Hydrogen ◽  
Electrostatic Interactions ◽  
Lone Pair ◽  
Dft Study ◽  
Nitrogen Lone Pair

A CSD analysis and DFT study reveal that the nitrogen lone-pair in [N(PPh3)2]+ is partially intact and involved in intramolecular hydrogen bonding.

On hydrogen bonding in 2-amino-3-hydroxymethyl-1,3-propane diol (TRIS) – variable temperature neutron single crystal and DFT study

2007 ◽  
Vol 222 (10) ◽  
Author(s):  
L'ubomír Smrčok ◽  
Paula M. Briggs Piccoli ◽  
A. J. Schultz ◽  
Mariana Sládkovičová ◽  
Pavel Mach
Keyword(s):  
Hydrogen Bonding ◽  
Single Crystal ◽  
Variable Temperature ◽  
Dft Study

DFT study of hydrogen bonding and IR spectra of calix[6]arene

2017 ◽  
Vol 1128 ◽  
pp. 439-447 ◽  
Author(s):  
V.L. Furer ◽  
L.I. Potapova ◽  
V.I. Kovalenko
Keyword(s):  
Hydrogen Bonding ◽  
Ir Spectra ◽  
Dft Study

Study of Hydrogen Bonding Patterns of a Pharmaceutically Active Drug Molecule Paraldehyde: a Raman and DFT Study

2011 ◽  
Vol 225 (6-7) ◽  
pp. 723-740 ◽  
Author(s):  
Shweta Singh ◽  
Dheeraj K. Singh ◽  
Sunil K. Srivastava ◽  
Birendra P. Asthana
Keyword(s):  
Hydrogen Bonding ◽  
Active Drug ◽  
Dft Study ◽  
Drug Molecule ◽  
Bonding Patterns
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