Results 1 to 10 of about 114,432 (116)

Intermolecular Covalent Interactions: Nature and Directionality

open access: yesChemistry – 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

Phosphate Stabilization of Intermolecular Interactions [PDF]

open access: yesJournal of Proteome Research, 2005
Receptor heteromerization is an important phenomenon that results from the interaction of epitopes on two receptors. Previous studies have suggested the possibility of Dopamine D2-NMDA receptors' interaction. We believe that the interaction is through an acidic epitope of the NMDA NR1 subunit (KVNSEEEEEDA) and a basic epitope of the D2 third ...
Shelley N, Jackson   +3 more
openaire   +2 more sources

Studies of pilocarpine:carbomer intermolecular interactions

open access: yesInternational Journal of Pharmaceutics, 2012
The interactions between pilocarpine (PIL) and the anionic polyelectrolyte carbomer (CBR) were investigated. The effects of the chemical interactions on the chemical stability of the drug also were evaluated. The binary system was characterized by nuclear magnetic resonance techniques, Fourier-transform infrared spectroscopy (FT-IR), X-ray powder ...
Zoppi, Ariana   +6 more
openaire   +3 more sources

Intermolecular interactions in solid benzene

open access: yesThe Journal of Chemical Physics, 2006
The lattice dynamics and molecular vibrations of benzene and deuterated benzene crystals are calculated from force constants derived from density-functional theory (DFT) calculations and compared with measured inelastic neutron-scattering spectra. A very small change (0.5%) in lattice parameter is required to obtain real lattice-mode frequencies across
Kearley, G.J. (author)   +2 more
openaire   +5 more sources

intermolecular interactions

open access: yes
Citation: 'intermolecular interactions' in the IUPAC Compendium of Chemical Terminology, 5th ed.; International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. 10.1351/goldbook.09873 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms.
openaire   +2 more sources

The intermolecular interactions in the aminonitromethylbenzenes

open access: yesOpen Chemistry, 2010
Abstract The intermolecular non-covalent interactions in aminonitromethylbenzenes namely 2-methyl-4-nitroaniline, 4-methyl-3-nitroaniline, 2-methyl-6-nitroaniline, 4-amino-2,6-dinitrotoluene, 2-methyl-5-nitroaniline, 4-methyl-2-nitroaniline, 2,3-dimethyl-6-nitroaniline, 4,5-dimethyl-2-nitroaniline and 2-methyl-3,5-dinitroaniline were ...
Rafal Kruszynski, Tomasz Sieranski
openaire   +1 more source

Theory of Intermolecular Interaction

open access: yesBulletin of the Chemical Society of Japan, 2002
Abstract The method of orbital interaction describing the intermolecular interaction is reformulated in terms of Green’s function. The eigen-values and eigen-vectors for individual molecules obtained by block diagonalization of the original Hamiltonian, are sufficient to predict the next step of the reaction.
openaire   +1 more source

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