Keywords: پیوند هیدروژنی بین مولکولی; Poorly water-soluble cilostazol; Adsorbing carriers; Reprecipitation of dissolved drug crystals; Micromeritics; Intermolecular hydrogen bond; Enhanced dissolution;
مقالات ISI پیوند هیدروژنی بین مولکولی (ترجمه نشده)
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Keywords: پیوند هیدروژنی بین مولکولی; Frontier molecular orbitals; Electronically excited state; Infrared spectra; Fluorescence spectrum; Intermolecular hydrogen bond;
Keywords: پیوند هیدروژنی بین مولکولی; 2-Furoic acid; DFT calculations; Molecular structure; Intermolecular hydrogen bond; Vibrational spectra
Unveiling the mechanism of the promising two-dimensional photoswitch - Hemithioindigo
Keywords: پیوند هیدروژنی بین مولکولی; Two-dimensional photoswitch; Hemithioindigo; Intermolecular hydrogen bond; Nonadiabatic dynamic simulation;
Synthesis, crystal structure and Hirshfeld surfaces of 1-(3,4-dimethoxyphenyl)-3-(3-hydroxyphenyl) propâ2-en-1-one
Keywords: پیوند هیدروژنی بین مولکولی; X-ray diffraction; Chalcone; Intermolecular hydrogen bond; Electrostatic potential surfaces; Thermal analysis;
H2O and CO coadsorption on Co (0001): The effect of intermolecular hydrogen bond
Keywords: پیوند هیدروژنی بین مولکولی; Co(0001) surface; Water; Carbon monoxide; Intermolecular hydrogen bond;
Crystallographic, spectroscopic (FT-IR/FT-Raman) and computational (DFT/B3LYP) studies on 4,4′-diethyl-2,2′-[methylazanediylbis(methylene)]diphenol
Keywords: پیوند هیدروژنی بین مولکولی; Benzoxazine dimer; Vibrational spectra; Intramolecular hydrogen bond; Intermolecular hydrogen bond; Density functional theory (DFT)
Intermolecular hydrogen bond and twisted intramolecular charge transfer in excited state of fast violet B (FVB) in methanol solution
Keywords: پیوند هیدروژنی بین مولکولی; Twisted intramolecular charge transfer; Intermolecular hydrogen bond; Excited state dynamics; Time-dependent density functional theory
Iron(II) complexes with a linear pentadentate ligand H2L1 = bis(N,N′-2-methylimidazol-4-yl-methylideneaminopropyl)methylamine and a monodentate ligand X (X = N3−, NCS−, NCSe−)
Keywords: پیوند هیدروژنی بین مولکولی; Iron(II) complex; High-spin state; Pentadentate ligand; Intermolecular hydrogen bond; Assembly structure
Single stranded helical chains of C–H⋯π interactions further connected by halogen–halogen interactions of type I to construct supramolecular structure of (E)-5-(diethylamino)-2-[(4-iodophenylimino)methyl]phenol compound
Keywords: پیوند هیدروژنی بین مولکولی; Schiff base; Intramolecular hydrogen bond; Intermolecular hydrogen bond; Halogen–halogen interaction; Tautomerism; Helical chain
Thermodynamic study of phase transitions of imidazoles and 1-methylimidazoles
Keywords: پیوند هیدروژنی بین مولکولی; Vapor pressure; Enthalpy of sublimation; Enthalpy of vaporization; Enthalpy of fusion; Temperature of fusion; Intermolecular hydrogen bond; Imidazole; N-methyl imidazole; 4,5-Dichloroimidazole; 4,5-Dicyanoimidazole; 4,5-Dichloro-1-methylimidazole; 4,5-Dic
Monomeric and dimeric structures, electronic properties and vibrational spectra of azelaic acid by HF and B3LYP methods
Keywords: پیوند هیدروژنی بین مولکولی; Frontier orbitals; First static hyperpolarizability; Normal mode analysis; Intermolecular hydrogen bond;
A B3LYP and MP2(full) theoretical investigation into explosive sensitivity upon the formation of the intermolecular hydrogen-bonding interaction between the nitro group of RNO2 (RÂ =Â -CH3, -NH2, -OCH3) and HF, HCl or HBr
Keywords: پیوند هیدروژنی بین مولکولی; Explosive sensitivity; Intermolecular hydrogen bond; BDE in trigger bond; MP2(full);
Gas–liquid chromatography-obtained differences in the dissolution enthalpy between two positional isomers in a polar stationary phase: A measure of the inter- or intramolecular hydrogen bond energy?
Keywords: پیوند هیدروژنی بین مولکولی; Intramolecular hydrogen bond; Intermolecular hydrogen bond; Gas–liquid chromatography; Hydrogen bond energy; Nonspecific interactions; 2- and 4-substituted phenols
Experimental and computational thermodynamic study of ortho-, meta-, and para-methylbenzamide
Keywords: پیوند هیدروژنی بین مولکولی; Enthalpy of combustion; Enthalpy of sublimation; Enthalpy of formation; Combustion calorimetry; Knudsen effusion; Vapour pressures; Methylbenzamide; Theoretical calculations; Intermolecular hydrogen bond
Molecular structure, spectral studies, intra and intermolecular interactions analyses in a novel ethyl 4-[3-(2-chloro-phenyl)-acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate and its dimer: A combined DFT and AIM approach
Keywords: پیوند هیدروژنی بین مولکولی; Vibrational spectrum; Dimer; Weak interaction; Intermolecular hydrogen bond; Reactivity descriptor; Ellipticity
Molecular structure (monomeric and dimeric structure) and HOMO–LUMO analysis of 2-aminonicotinic acid: A comparison of calculated spectroscopic properties with FT-IR and UV–vis
Keywords: پیوند هیدروژنی بین مولکولی; 2-Aminonicotinic acid; UV–vis and FT-IR spectra; DFT; Intermolecular hydrogen bond
DFT/TDDFT study on the excited-state hydrogen bonding dynamics of hydrogen-bonded complex formed by methyl cyanide and methanol
Keywords: پیوند هیدروژنی بین مولکولی; Intermolecular hydrogen bond; Excited state; Spectral redshift; Electronic transition energy;
Time-dependent density functional theory study on electronic excited states of the hydrogen-bonded solute-solvent phenol-(H2O)n (n=3-5) clusters
Keywords: پیوند هیدروژنی بین مولکولی; Phenol; Excited state; Intermolecular hydrogen bond; TDDFT; Infrared spectra;
Structure and solid-liquid phase transition thermodynamics of N-(diethylaminothiocarbonyl)benzimido derivatives
Keywords: پیوند هیدروژنی بین مولکولی; N-(diethylaminothiocarbonyl)benzimido derivatives; Crystal structure; Solid-liquid phase transition thermodynamics; Intermolecular hydrogen bond;
Relationship between calculated NMR data and intermolecular hydrogen bond properties in X-pyridineâ¯HF
Keywords: پیوند هیدروژنی بین مولکولی; Intermolecular hydrogen bond; Isotropic; Anisotropy; Coupling constant; Aromaticity; Hammett coefficient;
One step preparation of [(VO(μ-O)L)]2: A 2D supramolecular network directed by intermolecular interaction
Keywords: پیوند هیدروژنی بین مولکولی; Vanadium complex; Schiff base; Intermolecular hydrogen bond; Supramolecular network
Spectroscopic characterization and single molecule structures of N,N-bis-(3-phthalimidopropyl)-N-(2-hydroxyethyl)-N-propylammonium salts and their hydrates
Keywords: پیوند هیدروژنی بین مولکولی; N,N-Bis-(3-phthalimidopropyl)-N-(2-hydroxyethyl)-N-propylammonium salts; Intermolecular hydrogen bond; B3LYP and PM5 calculations; FTIR; Raman and NMR spectra;
Syntheses and crystal structures of the metal complexes based on pyrazolecarboxylic acid ligands
Keywords: پیوند هیدروژنی بین مولکولی; 3,5-Pyrazoledicarboxylic acid; 3-Methyl-5-pyrazolecarboxylic acid; Coordinated polymer; Intermolecular hydrogen bond; Crystal structure
Triply hydrogen bonded van der Waals complexes: CH2F2â¯CF2CH2 and CH2F2â¯CF2CHF
Keywords: پیوند هیدروژنی بین مولکولی; Rotational spectroscopy; van der Waals complex; Intermolecular hydrogen bond; Free jets;
Solid state 1:1 adduct via O–H⋯N hydrogen bond of the aminal 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane (TATD) and hydroquinone
Keywords: پیوند هیدروژنی بین مولکولی; 1,3,6,8-Tetraazatricyclo[4.4.1.13,8]dodecane- hydroquinone; TATD; Crystal structure; Intermolecular hydrogen bond; Aminal cage
Spectroscopic and PM5 semiempirical studies of the proton accepting properties of 1,8-bis(tetramethylguanidino)naphthalene
Keywords: پیوند هیدروژنی بین مولکولی; Strong N-base; TMGN; Proton sponge; Intermolecular hydrogen bond; Intramolecular hydrogen bond; FT-IR spectroscopy; 1H NMR; 13C NMR; ESI MS spectrometry; PM5 semiempirical calculations
pH-controlled assembly of two polyoxovanadates based on [V16O38(Cl)]8− and [V15O36(Cl)]6− building blocks
Keywords: پیوند هیدروژنی بین مولکولی; Polyoxovanadates; Mixed-valence; Hydrothermal reaction; Intermolecular hydrogen bond
Interactions of hypocrellin B with hyaluronan and photo-induced interactions
Keywords: پیوند هیدروژنی بین مولکولی; HB, hypocrellin B; HYA, hyaluronan; PBS, Phosphate buffered salineEnvironmentally sensitive fluorescence of HB; Polysaccharides; HYA; Specific interaction; Intermolecular hydrogen bond
Further consideration of the gas–liquid chromatographic method for determining the intramolecular hydrogen bond energies with the example of 2-substituted phenols
Keywords: پیوند هیدروژنی بین مولکولی; Intramolecular hydrogen bond; Intermolecular hydrogen bond; Gas–liquid chromatography; Hydrogen bond energy; 2-Substituted phenols
Experimental and DFT study of pyrazinamide
Keywords: پیوند هیدروژنی بین مولکولی; Pyrazinamide; FT-IR/ATR; Raman; NMR; DFT; Intermolecular hydrogen bond;