Química Nova, 2010 Hydrogen bonds formed through the interaction between a high electronic density center (lone electron pairs, π or pseudo-π bonds) and proton donors cause important electronic and vibrational phenomena in many systems.
Boaz G. Oliveira +2 more
doaj +1 more source
Quantum Nature of the Proton in Water-Hydroxyl Overlayers on Metal Surfaces [PDF]
, 2010 Using ab initio path-integral molecular dynamics, we show that water-hydroxyl overlayers on transition metal surfaces exhibit surprisingly pronounced quantum nuclear effects.
Alavi, A. +3 more
core +2 more sources
Isotopic fractionation in proteins as a measure of hydrogen bond length [PDF]
, 2015 If a deuterated molecule containing strong intramolecular hydrogen bonds is placed in a hydrogenated solvent it may preferentially exchange deuterium for hydrogen.
Athokpam, Bijyalaxmi +2 more
core +2 more sources
Tetraammonium Tetrametaphosphimate Tetrahydrate [PDF]
, 1998 The tetrametaphosphimate ring in the title compound, (NH4)4+(PO2NH)4-.4H2O exhibits a chair conformation. The tetrametaphosphimate rings are linked by N-HO bonds forming columns along [100].
Schnick, Wolfgang, Stock, Norbert
core +1 more source
Four related benzazepine derivatives in a reaction pathway leading to a benzazepine carboxylic acid : hydrogen-bonded assembly in zero, one, two and three dimensions [PDF]
, 2014 The authors thank ‘Centro de Instrumentacion Cientıfico-Tecnica of Universidad de Jaen’ and the staff for data collection. AP, SAG and CMS thank Colciencias for financial support (grant No. 1102–521–28229). JC thanks the Consejerıa de Innovacion, Ciencia
Cobo, J. +4 more
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Hydrogen bonds in PC61BM solids
AIP Advances, 2015 We have studied the hydrogen bonds in PC61BM solids. Inter-molecular interaction is analyzed theoretically for the well-defined monoclinic (P21/n) structure.
Chun-Qi Sheng +6 more
doaj +1 more source
Allylammonium hydrogen oxalate hemihydrate
Acta Crystallographica Section E, 2014 In the title hydrated molecular salt, C3H8N+·C2HO4−·0.5H2O, the water O atom lies on a crystallographic twofold axis. The C=C—C—N torsion angle in the cation is 2.8 (3)° and the dihedral angle between the CO2 and CO2H planes in the anion is 1.0 (4)°.
Błażej Dziuk +2 more
doaj +1 more source
Dynamics of Bound and Free Water in an Aqueous Micellar Solution : Analysis of the Lifetime and Vibrational Frequencies of Hydrogen Bonds at a Complex Interface [PDF]
, 2003 In order to understand the nature and dynamics of interfacial water molecules on the surface of complex systems, large scale molecular dynamics simulations of an aqueous micelle of cesium perfluorooctanoate surfactant molecules have been carried out. The
Bagchi, Biman +2 more
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Frontiers in Chemistry, 2014 Hydrogen-bonds structure in poly(2-hydroxyethyl methacrylate) (PHEMA) were investigated by means of temperature-dependent infrared (IR) spectroscopy. Spectral variations involved with the OH•••OH and C=O•••HO types of hydrogen-bonds were found around the
Shigeaki eMorita
doaj +1 more source
In-line near infrared spectroscopy during freeze-drying as a tool to measure efficiency of hydrogen bond formation between protein and sugar, predictive of protein storage stability [PDF]
, 2015 Sugars are often used as stabilizers of protein formulations during freeze-drying. However, not all sugars are equally suitable for this purpose. Using in-line near-infrared spectroscopy during freeze-drying, it is shown here that hydrogen bond formation
De Beer, Thomas +7 more
core +2 more sources