Results 11 to 20 of about 772,665 (325)

A topologia molecular QTAIM e a descrição mecânico-quântica de ligações de hidrogênio e ligações de di-hidrogênio The QTAIM molecular topology and the quantum-mechanical description of hydrogen bonds and dihydrogen bonds

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, Regiane C. M. U. Araújo, Mozart N. Ramos   +2 more
doaj   +1 more source

Trisodium Trimetaphosphimate Monohydrate [PDF]

, 1997
The trimetaphosphimate anion (PO2NH)33- in trisodium cyclo-tri--imidotriphosphate monohydrate, Na3(PO2NH)3.H2O, exhibits a chair conformation. Two trimetaphosphimate rings are linked to each other by six N-HO hydrogen bonds forming pairs. These units are
Schnick, Wolfgang, Stock, Norbert
core   +1 more source

Disposition of Federally Owned Surpluses [PDF]

, 1944
PDZ domains are scaffolding modules in protein-protein interactions that mediate numerous physiological functions by interacting canonically with the C-terminus or non-canonically with an internal motif of protein ligands. A conserved carboxylate-binding
A Bach, A Bach, A Bach, BA Appleton, BH Chang, BJ Hillier, BZ Harris, CN Chi, CN Chi, CN Chi, DA Doyle, E Chapman, E Kim, E Kim, ET Powers, FI Valiyaveetil, G Hultqvist, GM Elias, GS Beligere, H Remaut, H Tochio, H Tochio, HJ Lee, J Schultz, J Schultz, JA Wells, JF Amacher, JNN Eildal, JT Andreasen, JT Koh, KK Dev, KS Bateman, L Funke, M Aarts, M Sheng, M Vila-Perelló, MA Stiffler, MD Hill, MR Arkin, N Calosci, NX Wang, OA Karlsson, R Tonikian, RN McLaughlin Jr., S Deechongkit, S Seedorff, SH Gee, TW Muir, W Feng, Y Zhang, Z Songyang   +50 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, McKenzie, Ross H., Ramesh, Sai   +2 more
core   +2 more sources

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, Balasubramanian, Sundaram, Pal, Subrata   +2 more
core   +2 more sources

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, Wen-Jie Li, Ying-Ying Du, Guang-Hua Chen, Zheng Chen, Hai-Yang Li, Hong-Nian Li   +6 more
doaj   +1 more source

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

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, Bartosz Zarychta, Krzysztof Ejsmont   +2 more
doaj   +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., Glidewell, C., Guerrero, S.A., Palma, A., Sanabría, C.M.   +4 more
core   +2 more sources

Hydrogen-Bonds Structure in Poly(2-Hydroxyethyl Methacrylate) Studied by Temperature-Dependent Infrared Spectroscopy

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