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Analysis of proton NMR in hydrogen bonds in terms of lone-pair and bond orbital contributions
(Wiley, 2015-11)
NMR spectroscopic parameters of the proton involved in hydrogen bonding are studied theoretically. The set of molecules includes systems with internal resonance-assisted hydrogen bonds, internal hydrogen bonds but no ...
Intramolecular resonance assisted hydrogen bond and aggregation of 2-quinolones: a neutron diffraction study
(Wiley Blackwell Publishing, Inc, 2002-08)
Intramolecular Resonance Assisted Hydrogen Bond and Aggregation of 2-Quinolones A Neutron Defraction Study
Investigation of the resonance-assisted hydrogen bond in model ß-diketones through localized molecular orbital analysis of the spin-spin coupling constants related to the O-H· · ·O hydrogen bond
(John Wiley & Sons Ltd, 2014-09)
The resonance-assisted hydrogen bond (HB) phenomenon has been studied theoretically by a localized molecular orbital (LMO) decomposition of the spin–spin coupling constants between atoms either involved or close to the ...
Centrosymmetric resonance-assisted intermolecular hydrogen bonding chains in the enol form of -diketone: Crystal structure and theoretical study
(Journal of Molecular Graphics and Modelling, 2018)
Centrosymmetric resonance-assisted intermolecular hydrogen bonding chains in the enol form of β-diketone: Crystal structure and theoretical study
(Journal of Molecular Graphics and Modelling, 2019)
CLOPPA analysis of the molecular polarizability and the energy of strong intramolecular hydrogen bonds: Resonance assisted?
(American Chemical Society, 2012-11)
The contributions from localized orbitals within the polarization propagator approach (CLOPPA) method is applied to investigate the influence of the π system on the polarizability of the intramolecular hydrogen bond of ...
Assessing parameter suitability for the strength evaluation of intramolecular resonance assisted hydrogen bonding in O-carbonyl hydroquinones
(MDPI AG, 2019)
© 2019 by the authors.Intramolecular hydrogen bond (IMHB) interactions have attracted considerable attention due to their central role in molecular structure, chemical reactivity, and interactions of biologically active ...