Keywords: تعاملات هیدروژن اتصال; Co-crystal; Hydrogen bonding interactions; DFT; Biological activity; Molecular docking;
مقالات ISI تعاملات هیدروژن اتصال (ترجمه نشده)
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Keywords: تعاملات هیدروژن اتصال; Paal-Knorr chemical modification; Diels-Alder reaction; Hydrogen bonding interactions; Tuneable self-healing thermoset; Recycling;
Keywords: تعاملات هیدروژن اتصال; Cobalt(II) complexes; H3TDA ligand; Hydrogen bonding interactions; Magnetic properties
Synthesis, characterization and single crystal X-ray structure determination of three cadmium(II) complexes derived from picric acid and p-nitrobenzoic acid in the presence and absence of nitrogen donor ligand N-(hydroxyethyl)ethylenediamine
Keywords: تعاملات هیدروژن اتصال; Cadmium; N-(hydroxyethyl)ethylenediamine; Picrate; p-Nitrobenzoate; Hydrogen bonding interactions;
Hydrogen bonding interactions between the organic oxygen/nitrogen monomers of lignite and water molecules: A DFT and AIM study
Keywords: تعاملات هیدروژن اتصال; Lignite monomers; Organic oxygen/nitrogen; Hydrogen bonding interactions; DFT; AIM;
Evaluate the ability of PVP to inhibit crystallization of amorphous solid dispersions by density functional theory and experimental verify
Keywords: تعاملات هیدروژن اتصال; Hydrogen bonding interactions; Crystallization; Amorphous solid dispersions; Miscibility; DFT;
DFT, QTAIM, and NBO studies on the trimeric interactions in the protrusion domain of a piscine betanodavirus
Keywords: تعاملات هیدروژن اتصال; P-domain of GNNV; Trimeric interface; Charge-charge; Charge-dipole; Dipole-dipole; Charge transfer; Hydrogen bonding interactions; DFT; NBO and QTAIM analyses;
Synthesis, growth, structure and characterization of chalcone crystal: A novel organic NLO material
Keywords: تعاملات هیدروژن اتصال; X–ray diffraction; Optical properties; Thermal analysis; Hydrogen bonding interactions; SHG efficiency
Theoretical investigation on vibrational spectra, first order hyperpolarizability and NBO analysis of 4-Phenylpyridinium hydrogen squarate
Keywords: تعاملات هیدروژن اتصال; 4-Phenylpyridinium hydrogen squarate; Nonlinear optics; Hydrogen bonding interactions; Frontier molecular orbital; Vibrational spectrum;
Hydrothermal syntheses and structures of four new polyoxometalate based supramolecular architectures
Keywords: تعاملات هیدروژن اتصال; Polyoxometalate; Hydrothermal synthesis; Keggin; Hydrogen bonding interactions
Syntheses and structural characterization of four new organic–inorganic hybrid compounds based on bicapped Keggin polyoxometalate {PMo12Sb2O40}
Keywords: تعاملات هیدروژن اتصال; Polyoxometalate; Hydrothermal synthesis; Biantimony capped Keggin polyoxometalates; Hydrogen bonding interactions
l-Arginine trifluoroacetate salt bridges in its solid state compound: The low-temperature three dimensional structural determination of l-arginine bis(trifluoroacetate) crystal and its vibrational spectral analysis
Keywords: تعاملات هیدروژن اتصال; l-Arginine; Crystal structure; Hydrogen bonding interactions; Vibrational analysis
Thermal degradation of poly(methyl methacrylate) on SiO2 nanoparticles as a function of SiO2 size and silanol density
Keywords: تعاملات هیدروژن اتصال; Interphase region; Interface; Confinement effects; Silanol density; Isolated silanols; Hydrogen bonding interactions; Glass transition; PMMA;
Steric effects on forming different by-products in the formylation reaction of 2,4-dialkylphenol (dialkyl = t-Bu/t-Bu, t-Bu/Me and Me/Me) proved by their structural and spectral characterizations
Keywords: تعاملات هیدروژن اتصال; Formylation reaction; Steric effects; Crystal structures; Hydrogen bonding interactions
Molecular and solid-state structure of methyl [2-(acridin-9-ylimino)-3-(tert-butylamino)-4-oxothiazolidin-5-ylidene]acetate
Keywords: تعاملات هیدروژن اتصال; 9-Acridinyl thiazolidine; X-ray diffraction; NMR and mass spectra; Hydrogen bonding interactions; Quantum chemical calculations;
Supramolecular frameworks composed of Ru(II), Cu(II), Zn(II), Ni(II) and Fe(II) complexes having tridentate 4′-chloro-2,2′:6′,2″-terpyridine ligand and 1:1 or 1:2 ratios of metal and ligand
Keywords: تعاملات هیدروژن اتصال; 4′-Chloro-2,2′:6′,2″-terpyridine; Transition metal complexes; Hydrogen bonding interactions; Supramolecular networks
Photophysical behaviour of 2,6-diaminoanthraquinone in different solvents and at various pH
Keywords: تعاملات هیدروژن اتصال; 2,6-Diaminoanthraquinone; Hydrogen bonding interactions; Solvent relaxation
Syntheses and structural comparisons of two copper(II) complexes with the same formula having d-(+)- and d,l-1,2,2-trimethylcyclopentane-1,3-diamine ligands
Keywords: تعاملات هیدروژن اتصال; Racemic and d-(+)-1,2,2-trimethylcyclopentane-1,3-diamine ((1R,3S)-camphoric diamine); Copper(II) complexes; Hydrogen bonding interactions; Mirror and screw symmetries; Structure elucidation
Electronic absorption study on acid–base equilibria for some keto and thioketo pyrimidine derivatives: Experimental and theoretical evidence of enolization and solute–solvent interactions
Keywords: تعاملات هیدروژن اتصال; Hydrogen bonding interactions; Acidity constant; Enolization; Carbonyl; Thiocarbonyl; UV/vis spectroscopy
Excited state solvatochromic and prototropic behaviour of 4-aminodiphenylamine and 4,4′-diaminodiphenylamine—A comparative study by electronic spectra
Keywords: تعاملات هیدروژن اتصال; 4-Aminodiphenylamine; 4,4′-Diaminodiphenylamine; Hydrogen bonding interactions; Solvent relaxation
Supramolecular assemblies of new 2-D complexes: Syntheses, crystal structures, spectroscopic and magnetic properties of {[MnAu2(CN)4(NITpPy)2(H2O)2]}n and {[Co(N(CN)2)2(NITpPy)2(H2O)2]}n
Keywords: تعاملات هیدروژن اتصال; Complexes; Octahedral; Aurophilicity; Hydrogen bonding interactions; Antiferromagnetic;
Cation-anion interactions in bis(±)trans-2-aminocyclohexylammonium tetrathiotungstate, 1,7-diazonia-4-aza-heptane tetrathiotungstate and 1,5-diazonia-9-aza-nonane tetrathiotungstate
Keywords: تعاملات هیدروژن اتصال; Terathiotungstate; (±)trans-2-Aminocyclohexylammonium; 1,7-Diazonia-4-aza-heptane; 1,5-Diazonia-9-aza-nonane; Hydrogen bonding interactions;
Synthesis and structural characterisation of three dicyanamide complexes with Mn(II), Zn(II) and Cd(II): Supramolecular architectures stabilised by hydrogen bonding
Keywords: تعاملات هیدروژن اتصال; Structures; Dicyanamide; Pentagonal bipyramidal Mn(II); Square pyramidal Zn(II); Octahedral Cd(II); Hydrogen bonding interactions; Supramolecular architectures
Molecular and crystal structures of two matrices for MALDI-TOF-MS: 2-(4-hydroxyphenylazo)benzoic acid and 3,5-dimethoxy-4-hydroxycinnamic acid
Keywords: تعاملات هیدروژن اتصال; 2-(4-Hydroxyphenylazo)benzoic acid; 5-Dimethoxy-4-hydroxycinnamic acid; Single strand helix; Hydrogen bonding interactions;