Results 241 to 250 of about 2,348,481 (310)
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Journal of the American Chemical Society, 2020
Hydrogen bonds are one of the most important directional intermolecular interactions and play key role in chemical and biochemical systems, but there is still lack of prediction and understanding on their control.
Yang Luo +8 more
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Hydrogen bonds are one of the most important directional intermolecular interactions and play key role in chemical and biochemical systems, but there is still lack of prediction and understanding on their control.
Yang Luo +8 more
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Hydrogen bonds, improper hydrogen bonds and dihydrogen bonds
Journal of Molecular Structure: THEOCHEM, 2003Abstract The structures, interaction energies and vibrational spectra of a large number of molecular complexes, formed by binary combination of the covalent hydrides of some of the elements of the first two rows of the periodic table, have been determined by means of ab initio molecular orbital theory at the MP2 level, using the 6-311++G(d,p) basis ...
Maganthran G. Govender, Thomas A. Ford
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Hydrogen Bonded Arrays: The Power of Multiple Hydrogen Bonds
Journal of the American Chemical Society, 2012Hydrogen bond interactions in small covalent model compounds (i.e., deprotonated polyhydroxy alcohols) were measured by negative ion photoelectron spectroscopy. The experimentally determined vertical and adiabatic electron detachment energies for (HOCH(2)CH(2))(2)CHO(-)(2a), (HOCH(2)CH(2))(3)CO(-) (3a), and (HOCH(2)CH(2)CH(OH)CH(2))(3)CO(-) (4a)reveal ...
Alireza, Shokri +3 more
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Nature Reviews Chemistry, 2020
Self-organization of water molecules around solute ions can affect how they permeate through nanoporous liquid-crystalline membranes.
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Self-organization of water molecules around solute ions can affect how they permeate through nanoporous liquid-crystalline membranes.
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Physical Review Letters, 2003
Computer simulations using density functional theory based ab initio path integral molecular dynamics have been carried out to investigate hydrogen bonding in water under ambient conditions. Structural predictions for both H2O and D2O, which include the effects of zero-point energy, thermal motion, and many body polarization effects, are contrasted ...
Bin, Chen +3 more
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Computer simulations using density functional theory based ab initio path integral molecular dynamics have been carried out to investigate hydrogen bonding in water under ambient conditions. Structural predictions for both H2O and D2O, which include the effects of zero-point energy, thermal motion, and many body polarization effects, are contrasted ...
Bin, Chen +3 more
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Hydrogen bonding in sulfonamides
Journal of Pharmaceutical Sciences, 2001The hydrogen-bond connectivity in 39 sulfonamide crystal structures has been deciphered and described using graph set notation. The hydrogen-bond connectivity observed is used to gain information on hydrogen-bond preferences of specific donor and acceptor atoms of related sulfonamide molecules.
D A, Adsmond, D J, Grant
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Advanced Functional Materials
The directional and dynamic hydrogen bonds are of vital importance for both nucleic acids and proteins, but they naturally apply strong multiple hydrogen bonds in pendant groups and weak single hydrogen bond in the backbone.
Jiang Wu +5 more
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The directional and dynamic hydrogen bonds are of vital importance for both nucleic acids and proteins, but they naturally apply strong multiple hydrogen bonds in pendant groups and weak single hydrogen bond in the backbone.
Jiang Wu +5 more
semanticscholar +1 more source
Nature Materials, 2006
The concept of a chemical bond stands out as a major development in the process of understanding how atoms are held together in molecules and solids. Lewis' classical picture of chemical bonds as shared-electron pairs evolved to the quantum-mechanical valence-bond and molecular-orbital theories, and the classification of molecules and solids in terms ...
Anderson, Janotti, Chris G, Van de Walle
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The concept of a chemical bond stands out as a major development in the process of understanding how atoms are held together in molecules and solids. Lewis' classical picture of chemical bonds as shared-electron pairs evolved to the quantum-mechanical valence-bond and molecular-orbital theories, and the classification of molecules and solids in terms ...
Anderson, Janotti, Chris G, Van de Walle
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Advanced Functional Materials, 2019
The long application life and stable performance of stretchable electronics have been putting forward requirements for both higher mechanical properties and better self‐healing ability of polymeric substrates.
Ruichun Du +11 more
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The long application life and stable performance of stretchable electronics have been putting forward requirements for both higher mechanical properties and better self‐healing ability of polymeric substrates.
Ruichun Du +11 more
semanticscholar +1 more source
Hydrogen-Bonded Dihydrotetraazapentacenes
Organic Letters, 2012Three new members of N-heteropentacenes explored herein have adjacent pyrazine and dihydropyrazine rings at one end of the pentacene backbone. Interesting findings from this study include self-complementary N-H···N H-bonds in the solid state, solvent-dependent UV-vis absorption caused by H-bonding, and new p-type organic semiconductors with field ...
Zikai, He +4 more
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