Results 21 to 30 of about 864,821 (343)
A Spectroscopic Overview of Intramolecular Hydrogen Bonds of NH…O,S,N Type
Molecules, 2021 Intramolecular NH…O,S,N interactions in non-tautomeric systems are reviewed in a broad range of compounds covering a variety of NH donors and hydrogen bond acceptors. 1H chemical shifts of NH donors are good tools to study intramolecular hydrogen bonding.
Poul Erik Hansen
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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 +68 more
core +3 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 +2 more
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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 +2 more
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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 +1 more
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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
Hydrogen-bonding study of photoexcited 4-nitro-1,8-naphthalimide in hydrogen-donating solvents
Open Physics, 2016 The solute–solvent interactions of 4-nitro-1,8-naphthalimide (4NNI) as a hydrogen bond acceptor in hydrogen donating methanol (MeOH) solvent in electronic excited states were investigated by means of the time-dependent density functional theory(TDDFT ...
Cao Jianfang +5 more
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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
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Universal features in lifetime distribution of clusters in hydrogen bonding liquids [PDF]
, 2021 Hydrogen bonding liquids, typically water and alcohols, are known to form labile structures (network, chains, etc...), hence the lifetime of such structures is an important microscopic parameter, which can be calculated in computer simulations. Since these cluster entities are mostly statistical in nature, one would expect that, in the short time ...
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