Results 1 to 10 of about 864,821 (343)

Quantifying hydrogen bonding using electrically tunable nanoconfined water [PDF]

Nature Communications
Hydrogen bonding plays a crucial role in biology and technology, yet it remains poorly understood and quantified despite its fundamental importance. Traditional models, which describe hydrogen bonds as electrostatic interactions between electropositive ...
Ziwei Wang, Anupam Bhattacharya, Mehmet Yagmurcukardes, Vasyl Kravets, Pablo Díaz-Núñez, Ciaran Mullan, Ivan Timokhin, Takashi Taniguchi, Kenji Watanabe, Alexander N. Grigorenko, Francois Peeters, Kostya S. Novoselov, Qian Yang, Artem Mishchenko   +13 more
doaj   +2 more sources

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 calculations based on the Density Functional Theory, considering a standard Generalized Gradient ...
Silvestrelli, Pier Luigi
arxiv   +3 more sources

"Hydridic Hydrogen-Bond Donors" Are Not Hydrogen-Bond Donors. [PDF]

J Am Chem Soc
Herein, we dismiss a recent proposal by Civiš, Hobza, and co-workers to modify the IUPAC definition of hydrogen bonds in order to expand the scope from protonic Y-Hδ+ to hydridic Y-Hδ- hydrogen-bond donor fragments [J. Am. Chem. Soc. 2023, 145, 8550].
de Azevedo Santos L, Vermeeren P, Bickelhaupt FM, Fonseca Guerra C.   +3 more
europepmc   +6 more sources

Quantifying the ability of the CF2H group as a hydrogen bond donor [PDF]

Beilstein Journal of Organic Chemistry
The CF2H group can act as a hydrogen bond donor, serving as a potential surrogate for OH or SH groups but with a weaker hydrogen bond donation ability.
Matthew E. Paolella, Daniel S. Honeycutt, Bradley M. Lipka, Jacob M. Goldberg, Fang Wang   +4 more
doaj   +2 more sources

The Hydrogen Bond of QCD [PDF]

Physical Review D, 2019
Using the Born-Oppenheimer approximation, we show that exotic resonances, X and Z, may emerge as QCD molecular objects made of colored two-quark lumps, states with heavy-light diquarks spatially separated from antidiquarks.
Maiani, L., Polosa, A. D., Riquer, V.
core   +4 more sources

Revealing the Reasons for Degeneration of Resonance-Assisted Hydrogen Bond on the Aromatic Platform: Calculations of Ortho-, Meta-, Para-Disubstituted Benzenes, and (Z)-(E)-Olefins

Molecules, 2023
The energies of the O−H∙∙∙O=C intramolecular hydrogen bonds were compared quantitatively for the series of ortho-disubstituted benzenes and Z-isomers of olefins via a molecular tailoring approach.
Andrei V. Afonin, Danuta Rusinska-Roszak
doaj   +1 more source

Hydrogen Bond Blueshifts in Nitrile Vibrational Spectra Are Dictated by Hydrogen Bond Geometry and Dynamics [PDF]

JACS Au
Jacob M. Kirsh, Jacek Kozuch
doaj   +2 more sources

Nature of the Hydrogen Bond Enhanced Halogen Bond

Molecules, 2021
The factors responsible for the enhancement of the halogen bond by an adjacent hydrogen bond have been quantitatively explored by means of state-of-the-art computational methods. It is found that the strength of a halogen bond is enhanced by ca.
Susana Portela, Israel Fernández
doaj   +1 more source

Studies of Hydrogen Bond Vibrations of Hydrogen-Disordered Ice Ic

Crystals, 2021
The hydrogen-disordered structure of ice, Ic, makes it difficult to analyze the vibrational normal modes in the far-infrared region (i.e., the molecular translation band).
Xu-Hao Yu, Xiao-Ling Qin, Xiao-Tong Dong, Jing-Wen Cao, Xu-Liang Zhu, Hao-Cheng Wang, Yan-Ju Sun, Zi-Xun Xu, Peng Zhang   +8 more
doaj   +1 more source

Hydrogen Bonds

Molecules, 2023
The Topical Collection “Hydrogen Bonds” is a continuation of the previous Special Issue “Intramolecular Hydrogen Bonding 2021” [...]
openaire   +3 more sources