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Chemical Physics Letters, 2008
Abstract The concept of the hydrogen bond is a century old but remains youthful because of its vital role in so many branches of science and because of continued advances in experiment, theory and simulation. We discuss the structural and energetic characteristics of normal hydrogen bonds X–H···Y as well as some exceptions to the normal, including ...
Sean A.C. McDowell +2 more
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Abstract The concept of the hydrogen bond is a century old but remains youthful because of its vital role in so many branches of science and because of continued advances in experiment, theory and simulation. We discuss the structural and energetic characteristics of normal hydrogen bonds X–H···Y as well as some exceptions to the normal, including ...
Sean A.C. McDowell +2 more
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, 2020
The area of hydrogen bonding is one that is well studied but our understanding continues to develop as the power of both computational and experimental techniques has improved. This book presents an up-to-date overview of our theoretical and experimental
S. J. Grabowski
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The area of hydrogen bonding is one that is well studied but our understanding continues to develop as the power of both computational and experimental techniques has improved. This book presents an up-to-date overview of our theoretical and experimental
S. J. Grabowski
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American Scientist, 2012
My first encounter with H2 was typical for a boy in the age of chemistry sets that had some zing to them. My set, made by A. C. Gilbert Co., contained some powdered zinc. It had no acids, but it taught you to generate them from chemicals it included (for instance HCl from NaHSO4 and NH4Cl), or—the manual said— you could buy a small quantity from your ...
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My first encounter with H2 was typical for a boy in the age of chemistry sets that had some zing to them. My set, made by A. C. Gilbert Co., contained some powdered zinc. It had no acids, but it taught you to generate them from chemicals it included (for instance HCl from NaHSO4 and NH4Cl), or—the manual said— you could buy a small quantity from your ...
openaire +2 more sources
, 2018
We demonstrate a facile and universal strategy in the fabrication of dual-cross-linked (DC) single network hydrogels with high toughness, “nonswellability”, rapid self-healing, and versatile adhesiveness based on polymer–tannic acid (TA) multiple ...
Hailong Fan, Jiahui Wang, Zhaoxia Jin
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We demonstrate a facile and universal strategy in the fabrication of dual-cross-linked (DC) single network hydrogels with high toughness, “nonswellability”, rapid self-healing, and versatile adhesiveness based on polymer–tannic acid (TA) multiple ...
Hailong Fan, Jiahui Wang, Zhaoxia Jin
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Selective Breaking of Hydrogen Bonds of Layered Carbon Nitride for Visible Light Photocatalysis
Advances in Materials, 2016Selective breaking of the hydrogen bonds of graphitic carbon nitride can introduce favorable features, including increased band tails close to the band edges and the creation of abundant pores.
Yuyang Kang +6 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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Hydrogen bonding with polonium
Physical Chemistry Chemical Physics, 2022Beyond atomic electronegativity: polonium can form hydrogen bonds even if its electronegativity is less than that of hydrogen. The X–H⋯Po H-bonds are dominated by dispersion and can have H-bond energy comparable to that of conventional H-bonds.
Kiran Devi Tulsiyan +3 more
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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 ...
Michael L. Klein +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 ...
Michael L. Klein +3 more
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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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CHARACTERIZATION OF C-H-O HYDROGEN-BONDS ON THE BASIS OF THE CHARGE-DENSITY
, 1995It is shown that the total charge density is a valid source to confirm hydrogen bonding without invoking a reference charge density. A set of criteria are proposed based on the theory of “atoms in molecules” to establish hydrogen bonding, even for ...
U. Koch, P. Popelier
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