Hydrogen bonding characterization in water and small molecules [PDF]
, 2017 The prototypical Hydrogen bond in water dimer and Hydrogen bonds in the protonated water dimer, in other small molecules, in water cyclic clusters, and in ice, covering a wide range of bond strengths, are theoretically investigated by first-principles ...
Silvestrelli, Pier Luigi
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Solvatochromic probes for detecting hydrogen-bond-donating solvents [PDF]
, 2014 Hydrogen bonding heavily influences conformations, rate of reactions, and chemical equilibria. The development of a method to monitor hydrogen bonding interactions independent of polarity is challenging as both are linked.
Anfinsen +32 more
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Compact phases of polymers with hydrogen bonding [PDF]
, 2003 We propose an off-lattice model for a self-avoiding homopolymer chain with two different competing attractive interactions, mimicking the hydrophobic effect and the hydrogen bond formation respectively. By means of Monte Carlo simulations, we are able to
A.D. Sokal +17 more
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Intermolecular N-H...O=C hydrogen bonding in the crystal structure of 6-amino-1,3-dimethyluracil [PDF]
, 1993 The 6-amino- 1,3-dimethyluracil molecule [6-amino- 1,3- dimethyl-2,4(1H,3H)-pyrimidinedione], C6H9N302 (I), lies on a crystallographic mirror plane and participates in an extensive two-dimensional hydrogen-bonding network in the solid state.
Ferguson, George +5 more
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Supramolecular hierarchy among halogen and hydrogen bond donors in light-induced surface patterning [PDF]
, 2015 Halogen bonding, a noncovalent interaction possessing several unique features compared to the more familiar hydrogen bonding, is emerging as a powerful tool in functional materials design.
Barrett C. J. +10 more
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Adenosinium 3,5-dinitrosalicylate [PDF]
, 2004 The crystal structure of adenosinium 3,5-dinitrosalicylicate, C10H14N5O4+烷H3N2O7-, shows the presence of a primary chain structure formed through homomeric head-to-tail cyclic R22(10) hydrogen-bonding interactions between hydroxy O- and both purine and ...
Healy, Peter +2 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
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 +50 more
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Nanostructure of cellulose microfibrils in spruce wood [PDF]
, 2011 The structure of cellulose microfibrils in wood is not known in detail, despite the abundance of cellulose in woody biomass and its importance for biology, energy, and engineering.
A. N. Fernandes +34 more
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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 ...
arxiv +1 more source