Results 251 to 260 of about 2,348,481 (310)
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The Journal of Physical Chemistry A, 2006
In this Article we extend the idea of detecting a hydrogen bond solely on one single quantum chemically determined descriptor. We present an improvement of the method introduced by Reiher et al. (Theor. Chim. Acta 2001, 106, 379), who mapped the strength of the hydrogen bond onto an easily accessible quantity, namely, the two-center shared-electron ...
Jens, Thar, Barbara, Kirchner
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In this Article we extend the idea of detecting a hydrogen bond solely on one single quantum chemically determined descriptor. We present an improvement of the method introduced by Reiher et al. (Theor. Chim. Acta 2001, 106, 379), who mapped the strength of the hydrogen bond onto an easily accessible quantity, namely, the two-center shared-electron ...
Jens, Thar, Barbara, Kirchner
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A high stiffness and self-healable polyurethane based on disulfide bonds and hydrogen bonding
, 2020Despite lots of strategies involving extrinsic and intrinsic solutions to self-healing materials, it remains a challenge to achieve a self-healable material with excellent mechanical properties.
Maochen Liu +9 more
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Stickiness of the Hydrogen Bond
Annalen der Physik, 2018AbstractThe dielectric response of bulk water follows laws of continuum electrostatics, a scheme often extrapolated without justification to treat confined interfacial water, where the Debye polarization ansatz breaks down and discrete effects matter.
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Dalton Transactions, 2003
AbstractFor Abstract see ChemInform Abstract in Full Text.
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AbstractFor Abstract see ChemInform Abstract in Full Text.
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Persistent Hydrogen‐Bonded and Non‐Hydrogen‐Bonded Phenoxyl Radicals
Chemistry – A European Journal, 2011AbstractThe production of stable phenoxyl radicals is undoubtedly a synthetic chemical challenge. Yet it is a useful way to gain information on the properties of the biological tyrosyl radicals. Recently, several persistent phenoxyl radicals have been reported, but only limited synthetic variations could be achieved.
Riccardo, Wanke +4 more
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Hydrogen–hydrogen bonding: The current density perspective
Journal of Computational Chemistry, 2015Current density plots of closed‐shell intermolecular HH interactions characterized by a bond critical point (BCP) show two vortices separated by a saddle, a pattern which allows for a clear definition of a pair current strength. This HH current strength turns out to be roughly related to the potential energy density at the BCP and then to the ...
Della Porta, Paolo +2 more
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Crystal Growth & Design, 2009
A simple N,N′-diaryl urea derivative was found to form four different anhydrous crystal forms (I−IV°), which can be crystallized in pure form by several techniques from solution as well as from the melt. These polymorphs were characterized by thermomicroscopy, differential scanning calorimetry, Fourier-transform infrared spectroscopy and single crystal
Edkins, Katharina +4 more
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A simple N,N′-diaryl urea derivative was found to form four different anhydrous crystal forms (I−IV°), which can be crystallized in pure form by several techniques from solution as well as from the melt. These polymorphs were characterized by thermomicroscopy, differential scanning calorimetry, Fourier-transform infrared spectroscopy and single crystal
Edkins, Katharina +4 more
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Effects of temperature on cellulose hydrogen bonds during dissolution in ionic liquid.
Carbohydrate Polymers, 2018Ionic liquids have been powerful solvents for cellulose. Mechanistic investigations of the dissolution processes have been extensively studied. In this paper, an experimental study has revealed that temperature also comes into play in cellulose ...
X. Wei +6 more
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ChemInform, 2007
AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
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AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
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Bond energies and hydrogen density distributions for hydrogen bond
Zeitschrift für Naturforschung A, 2023Abstract The three-body problem for hydrogen bond (X–Y–X; Y=H or D) is discussed assuming symmetrical double minimum of the Morse potentials (X–Y). Two types for hydrogen bond energies are estimated by deriving the confocal elliptic differential equation, and the lowest energy for hydrogen bond may be estimated using the trial function ...
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