Results 11 to 20 of about 1,847,339 (304)
Hydrogen bond donors in drug design [PDF]
, 2022 In medicinal chemistry, hydrogen bond donors are seen to cause more problems than hydrogen bond acceptors and this study examines hydrogen bond donor-acceptor asymmetries in the context of drug design.
Peter, Kenny
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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
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Journal of Magnetic Resonance Open, 2022 1H and 19F NMR methods based on chemical shift measurements of different hydrogen bond donors used for quantifying hydrogen bond strength were analyzed and compared. The extracted values from these different methods are shown to be highly correlated with
Claudio Dalvit +2 more
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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
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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
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Molecules, 2023 The Topical Collection “Hydrogen Bonds” is a continuation of the previous Special Issue “Intramolecular Hydrogen Bonding 2021” [...]
openaire +3 more sources
Hydrogen-Bond-Promoted ORR Mechanism in P‑Doped Fe–N–C Materials
, 2023 P-doping has been widely adopted in M–N–C materials to enhance the catalytic activity of oxygen reduction reaction (ORR). However, the ORR mechanism of P-doping remains elusive. Herein, based on the first-principles calculations, the stability of P-doped
Naiqin Zhao (1410178) +7 more
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Hydrophobic Molecules Slow Down the Hydrogen-Bond Dynamics of Water [PDF]
, 2011 We study the spectral and orientational dynamics of HDO molecules in solutions of tertiary-butyl-alcohol (TBA), trimethyl-amine-oxide (TMAO), and tetramethylurea (TMU) in isotopically diluted water (HDO:D2O and HDO:H2O). The spectral dynamics are studied
Bakulin, Artem A. +15 more
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, 2022 Conformational control of π-conjugated molecules using intramolecular noncovalent bonds represents a promising strategy to tailor the solid-state molecular packing and electronic properties of these materials.
Octavio Miranda (12700403) +6 more
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N′-(5-Bromo-2-hydroxybenzylidene)-3,4,5-trihydroxybenzohydrazide dihydrate
Acta Crystallographica Section E, 2008 The title compound, C14H11BrN2O5·2H2O, crystallizes as hydrogen-bonded sheets. The 2-hydroxy group on the benzylidene group forms an intramolecular hydrogen bond to the N atom of the C=N double bond.
Hapipah M. Ali +4 more
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