Results 1 to 10 of about 822,424 (341)
Quantifying the ability of the CF2H group as a hydrogen bond donor [PDF]
Beilstein Journal of Organic ChemistryThe 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 +4 more
doaj +2 more sources
"Hydridic Hydrogen-Bond Donors" Are Not Hydrogen-Bond Donors. [PDF]
J Am Chem SocHerein, 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 +3 more
europepmc +6 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
The Relation Between the Energy of a Hydrogen Bond and the Frequencies of the O–H Bands [PDF]
, 1940 It has previously been pointed out (1) that there appears to be a relation between the energy of a hydrogen bond and the shift of the frequency of the O-H bands which accompanies the formation of the bond.
Richard M. Badger
openalex +4 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
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 AuJacob 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 +8 more
doaj +1 more source