A structural systematic study of four isomers of difluoro-N-(3-pyridyl)benzamide [PDF]
, 2009 The four isomers 2,4-, (I), 2,5-, (II), 3,4-, (III), and 3,5-difluoro-N-(3-pyridyl)benzamide, (IV), all with formula C12H8F2N2O, display molecular similarity, with interplanar angles between the C6/C5N rings ranging from 2.94 (11)° in (IV) to 4.48 (18 ...
Anderson, Frankie P. +3 more
core +1 more source
Molecules, 2021 X-ray structural determinations and computational studies were used to investigate halogen interactions in two halogenated oxindoles. Comparative analyses of the interaction energy and the interaction properties were carried out for Br···Br, C-H···Br, C ...
Rodrigo A. Lemos Silva +4 more
doaj +1 more source
On the interactions between molecules in an off-resonant laser beam:Evaluating the response to energy migration and optically induced pair forces [PDF]
, 2009 Electronically excited molecules interact with their neighbors differently from their ground-state counterparts. Any migration of the excitation between molecules can modify intermolecular forces, reflecting changes to a local potential energy landscape.
Andrews D. L. +5 more
core +1 more source
Intermolecular Interactions in Ionic Complexes
CHIMIA, 1999 Intermolecular interactions and microsolvation effects in isolated charged complexes are investigated by high-resolution infrared spectroscopy and quantum-chemical calculations.
Otto Dopfer
doaj +1 more source
Analysis of Protein-Protein Interactions for Intermolecular Bond Prediction
Molecules, 2022 Protein-protein interactions often involve a complex system of intermolecular interactions between residues and atoms at the binding site. A comprehensive exploration of these interactions can help reveal key residues involved in protein-protein ...
Justin Z. Tam +3 more
doaj +1 more source
Influence of supramolecular forces on the linear viscoelasticity of gluten [PDF]
, 2016 Stress relaxation behavior of hydrated gluten networks was investigated by means of rheometry combined with μ-computed tomography (μ-CT) imaging. Stress relaxation behavior was followed over a wide temperature range (0–70 °C).
A Lodge +52 more
core +1 more source
Intermolecular interactions in N-(ferrocenylmethyl)anthracene-9-carboxamide [PDF]
, 2003 The title compound, [Fe(C₅H₅)(C₂₁H₁₆NO)], was synthesized from the coupling reaction of anthracene-9-carboxylic acid and ferrocenylmethylamine. The ferrocenyl (Fc) group and the anthracene ring system both lie approximately orthogonal to the amide moiety.
Gallagher, John F. +3 more
core +1 more source
Intermolecular Covalent Interactions: Nature and Directionality
Chemistry – A European Journal, 2023 AbstractQuantum chemical methods were employed to analyze the nature and the origin of the directionality of pnictogen (PnB), chalcogen (ChB), and halogen bonds (XB) in archetypal FmZ⋅⋅⋅F− complexes (Z=Pn, Ch, X), using relativistic density functional theory (DFT) at ZORA‐M06/QZ4P.
Lucas de Azevedo Santos +3 more
openaire +3 more sources
Quantifying intermolecular interactions of ionic liquids using cohesive energy densities [PDF]
Royal Society Open Science, 2017 For ionic liquids (ILs), both the large number of possible cation + anion combinations and their ionic nature provide a unique challenge for understanding intermolecular interactions.
Kevin R. J. Lovelock
doaj +1 more source
O-H...O, C-H...O and C-H...[pi]arene intermolecular interactions in (2S)-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)pentanoic acid and (2S)-3-methyl-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)butanoic acid [PDF]
, 2000 In the first of the title compounds, (2S)-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)pentanoic acid, C₁₃H₁₅NO₃, prepared from L-norvaline, a hydrogen-bonded network is formed in the solid state through O-H...O=C, C-H...O=C and C-H...πarene intermolecular ...
Brady, Fiona, Gallagher, John F.
core +1 more source