Results 271 to 280 of about 2,615,661 (354)

Accurate vibrational hydrogen-bond shift predictions with multicomponent DFT. [PDF]

Chem Sci
Gimferrer M, Hasecke L, Bödecker M, Mata RA.   +3 more
europepmc   +1 more source

Unveiling an Alternative Mechanism for Lewis Basic Selenium as a C─H Hydrogen Bond Catalyst and Its Application in the Halogenation of Arenes. [PDF]

Angew Chem Int Ed Engl
Huang J, Zhang Q, Wang H, Yang J, Tse YS, Jiang X, Yeung YY.   +6 more
europepmc   +1 more source

A Bifunctional Cyclopropeneimine with a Tunable Hydrogen-Bond Donating Group and Its Application in the Enantioselective Synthesis of α,β-Diamino Phosphonates. [PDF]

ACS Omega
Chittoory AK, Patra R, Karushuda A, Rajaram S.   +3 more
europepmc   +1 more source

A Minimal Model for the Hydrophobic and Hydrogen Bonding Effects on Secondary and Tertiary Structure Formation in Proteins

, 2009
Kyle Robert Denison
openalex   +1 more source

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Hydrogen-Bond Network Promotes Water Splitting on the TiO2 Surface.

Journal of the American Chemical Society, 2022
Breaking the strong covalent O-H bond of an isolated H2O molecule is difficult, but it can be largely facilitated when the H2O molecule is connected with others through hydrogen-bonding.
Xiaochuan Ma, Yongliang Shi, Jianyi Liu, Xintong Li, Xuefeng Cui, Shijing Tan, Jin Zhao, Bing Wang   +7 more
semanticscholar   +1 more source

Hydrogen-Bond Donors in Drug Design.

Journal of Medicinal Chemistry, 2021
Hydrogen-bond donors are seen to cause more problems for drug designers than hydrogen-bond acceptors. Most of the polarity in drug-like compounds comes from hydrogen-bond acceptors since they typically exceed the hydrogen-bond donors in number and are ...
P. Kenny
semanticscholar   +1 more source

Hydrogen bonds, improper hydrogen bonds and dihydrogen bonds

Journal of Molecular Structure: THEOCHEM, 2003
Abstract 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
openaire   +1 more source

Hydrogen multicentre bonds

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
openaire   +2 more sources

Hydrogen-Bonded Dihydrotetraazapentacenes

Organic Letters, 2012
Three 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, Danqing, Liu, Renxin, Mao, Qin, Tang, Qian, Miao   +4 more
openaire   +2 more sources