Results 21 to 30 of about 822,424 (341)

Inverse Temperature Dependence of Nuclear Quantum Effects in DNA Base Pairs [PDF]

, 2016
Despite the inherently quantum mechanical nature of hydrogen bonding, it is unclear how nuclear quantum effects (NQEs) alter the strengths of hydrogen bonds.
Angelos Michaelides, Jeffrey G., Ji Chen, Mariana Rossi, Petrenko V., Wei Fang, Xin-Zheng Li, Yexin Feng   +7 more
core   +5 more sources

(E)-4-Hydroxy-N′-(2-hydroxy-4-methoxybenzylidene)benzohydrazide N,N-dimethylformamide solvate

Acta Crystallographica Section E, 2009
The Schiff base molecule of the title compound, C15H14N2O4·C3H7NO, adopts a trans configuration with respect to the C=N double bond; the Schiff base itself is nearly planar (r.m.s. deviation 0.20 Å).
Nooraziah Mohd Lair, Hapipah Mohd Ali, Seik Weng Ng   +2 more
doaj   +1 more source

Hydrogen-Bond-Assisted Symmetry Breaking in a Network of Chiral Metal-Organic Assemblies. [PDF]

, 2019
Herein we elucidate the interplay of chiral, chelate, solvent, and hydrogen-bonding information in the self-assembly of a series of new three-dimensional metal-organic architectures.
Greenfield, Jake L, Nitschke, Jonathan R, Plajer, Alex J, Pröhm, Patrick, Rizzuto, Felix J   +4 more
core   +6 more sources

Structures of disodium hydrogen citrate monohydrate, Na2HC6H5O7(H2O), and diammonium sodium citrate, (NH4)2NaC6H5O7, from powder diffraction data

Acta Crystallographica Section E: Crystallographic Communications, 2020
The crystal structures of disodium hydrogen citrate monohydrate, Na2HC6H5O7(H2O), and diammonium sodium citrate, (NH4)2NaC6H5O7, have been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional ...
Jerry Hong, Shivang Bhaskar, Joseph T. Golab, James A. Kaduk   +3 more
doaj   +1 more source

A double-deletion method to quantifying incremental binding energies in proteins from experiment. Example of a destabilizing hydrogen bonding pair [PDF]

, 2004
The contribution of a specific hydrogen bond in apoflavodoxin to protein stability is investigated by combining theory, experiment and simulation. Although hydrogen bonds are major determinants of protein structure and function, their contribution to ...
Ben-Tal, Blaber, Branden, Brooks, Carter, Creamer, Creamer, Desiraju, Eisenhaber, Eriksson, Essmann, Feller, Fernandez-Recio, Fernando Falo, Fersht, Fersht, Fersht, Fillat, Fukuyama, Genzor, Genzor, Guerois, Honig, Horovitz, Hubbard, Irun, Irun, Javier Sancho, Jeffrey, Jon López-Llano, Jorgensen, Koehl, Koradi, Krivov, Langdon, Lee, Lesk, Lostao, Lostao, Luis A. Campos, Luisi, Ma, Maldonado, Maldonado, Maldonado, Matsumura, Myers, Pace, Paterlini, Perl, Pinker, Rao, Richards, Rickaert, Sanchez-Ruiz, Santiago Cuesta-López, Santoro, Schiffer, Sharp, Shi, Smith, Vajda, Vajda, Weng, Xie, Yang, Yi, Zagrovic, Zielenkiewicz   +68 more
core   +3 more sources

1H and 19F NMR chemical shifts for hydrogen bond strength determination: Correlations between experimental and computed values

Journal of Magnetic Resonance Open, 2022
1H and 19F NMR methods based on chemical shift measurements of different hydrogen bond donors used for quantifying hydrogen bond strength were analyzed and compared. The extracted values from these different methods are shown to be highly correlated with
Claudio Dalvit, Marina Veronesi, Anna Vulpetti   +2 more
doaj  

The Ionic Hydrogen Bond [PDF]

ChemInform, 2005
AbstractFor Abstract see ChemInform Abstract in Full Text.
openaire   +4 more sources

Crystal structure of 3-[({2-[bis(2-hydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino)methyl]-2-hydroxy-5-methylbenzaldehyde

Acta Crystallographica Section E, 2014
The non-symmetric title molecule, C32H34N2O5, is based on a tetrasubstituted ethylenediamine backbone. The molecular structure consists of three hydroxybenzyl groups and one 2-hydroxy-5-methylbenzaldehyde group bonded to the N atoms of the diamine unit ...
Alexandra S. Fonseca, Adailton J. Bortoluzzi   +1 more
doaj   +1 more source

Chloride ions as integral parts of hydrogen bonded networks in aqueous salt solutions: the appearance of solvent separated anion pairs [PDF]

Physical Chemistry Chemical Physics, 22 (2020) 11038-11044, 2020
Hydrogen bonding to chloride ions has been frequently discussed over the past 5 decades. Still, the possible role of such secondary intermolecular bonding interactions in hydrogen bonded networks has not been investigated in any detail. Here we consider computer models of concentrated aqueous LiCl solutions and compute usual hydrogen bond network ...
arxiv   +1 more source

2-Hydroxybenzyl alcohol–phenanthroline (1/1)

Acta Crystallographica Section E, 2009
Crystals of the title compound, C12H8N2·C7H8O2, were obtained during cocrystallization experiments of a compound with two hydrogen-bond donors (2-hydroxybenzyl alcohol) with another compound containing two hydrogen-bond acceptors (phenanthroline)
Cuong Quoc Ton, Michael Bolte
doaj   +1 more source