Keywords: پیوند هیدروژنی داخلی; Chromatographic indexes; Cyclic hexapeptides; HILIC; Ionization; Intramolecular hydrogen bonding; IAM; Lipophilicity; MD simulations;
مقالات ISI پیوند هیدروژنی داخلی (ترجمه نشده)
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Keywords: پیوند هیدروژنی داخلی; Photorearrangement; Photo-Fries rearrangement; Pyrene; Pyrenyl ester; Intramolecular hydrogen bonding;
Keywords: پیوند هیدروژنی داخلی; Microwave spectroscopy; Conformational analysis; Intramolecular hydrogen bonding;
Keywords: پیوند هیدروژنی داخلی; Myricetin; Myricitrin; Density functional theory (DFT) calculations; FT-IR and FT-Raman spectra; OH stretching frequencies; Intramolecular hydrogen bonding;
Keywords: پیوند هیدروژنی داخلی; Anthracycline; Stereoisomer; Linear solvation energy relationship; Solvent polarity scale; Dipole moment; Intramolecular hydrogen bonding;
Intramolecular hydrogen bonding patterns, conformational preferences and molecular properties of dimeric acylphloroglucinols: An ab initio and DFT study
Keywords: پیوند هیدروژنی داخلی; Acylphloroglucinols; Cooperative hydrogen bonds; Dimeric acylphloroglucinols; Intramolecular hydrogen bonding; Red shift;
Experimental and theoretical studies on the structural, spectroscopic and hydrogen bonding on 4-nitro-n-(2,4-dinitrophenyl) benzenamine
Keywords: پیوند هیدروژنی داخلی; Para 4-nitro-N-(2,4-dinitrophenyl) benzenamine; DFT; Vibrational analysis; Intramolecular hydrogen bonding;
Influence of intramolecular hydrogen bonding interaction on the molecular properties of N-p-tolyl-5-oxo pyrrolidine-3-carboxylic acid: A theoretical and experimental study
Keywords: پیوند هیدروژنی داخلی; Organic crystals; Intramolecular hydrogen bonding; Emission; Electrostatic potential; CHELPG atomic charges; Hyperpolarizability;
X-ray crystal structure, Hirshfeld surface analysis and DFT computations of a γ-hydroxyphosphine oxide derivative [(4âhydroxyâ2-methylpentan-2-yl)diphenylphosphine oxide]
Keywords: پیوند هیدروژنی داخلی; γ-hydroxyphosphine oxide; Intramolecular hydrogen bonding; X-ray diffraction; Hirshfeld surface; DFT computations;
Theoretical and experimental studies on anticancer drug mitoxantrone
Keywords: پیوند هیدروژنی داخلی; Mitoxantrone; Intramolecular hydrogen bonding; Fukui functions; Molecular modeling; Charge transfer complexes;
Structural analysis, solvent effects and intramolecular interactions in rilpivirine: A new non-nucleoside reverse transcriptase inhibitor for HIV treatment
Keywords: پیوند هیدروژنی داخلی; Rilpivirine; Conformer; Solvent effect; Intramolecular hydrogen bonding; DFT;
Synthesis of polythiophene derivative bearing methoxy and pyridine groups at the β-position and formation of an intramolecular hydrogen bonding through the polymer reaction
Keywords: پیوند هیدروژنی داخلی; Polythiophene; Polymer reaction; Intramolecular hydrogen bonding;
Synthesis and conformational studies of calixarene analogue chiral [3.3.1]metacyclophanes
Keywords: پیوند هیدروژنی داخلی; Metacyclophanes; Macrocycles; Calixarenes; Intramolecular hydrogen bonding; O-methylation; Chirality;
Intramolecular hydrogen bonding in N-salicylideneaniline: FT-IR spectrum and quantum chemical calculations
Keywords: پیوند هیدروژنی داخلی; N-salicylideneaniline (SAn); Intramolecular hydrogen bonding; Vibrational assignment; FT-IR spectra; DFT calculations; CPCM;
Eco-friendly synthesis, spectral and computational study of pyrrole-2-carboxaldehyde salicylhydrazone (PCSH) for its application
Keywords: پیوند هیدروژنی داخلی; Density functional theory; AIM; Intramolecular hydrogen bonding; Reactivity descriptor; 1H NMR chemical shifts
1,1â²,1â²â²-(2,4,6-Trihydroxybenzene-1,3,5-triyl)triethanone tautomerism revisited
Keywords: پیوند هیدروژنی داخلی; RYVAKWPSERAUNV-UHFFFAOYSA-N; Tautomerism; Deuterium isotope effects on chemical shifts; Intramolecular hydrogen bonding; UV-vis spectroscopy; Quantum chemistry; Self-association;
Critical assessment of the intramolecular hydrogen bonding (IMHB) interaction in two isomeric hydroxynicotinic acids: A computational approach
Keywords: پیوند هیدروژنی داخلی; Density functional theory; Intramolecular hydrogen bonding; Atoms-In-Molecule; Bond critical point; Natural Bond Orbital; Resonance assisted hydrogen bond;
Structural studies on Cd(II) complexes incorporating di-2-pyridyl ligand and the X-ray crystal structure of the chloroform solvated DPMNPH/CdI2 complex
Keywords: پیوند هیدروژنی داخلی; Cd(II) complexes; DPMNPH ligand; X-ray single crystal structure; Intramolecular hydrogen bonding;
Phenylalanine and tyrosine methyl ester intramolecular interactions and conformational analysis by 1H NMR and infrared spectroscopies and theoretical calculations
Keywords: پیوند هیدروژنی داخلی; Conformational analysis; Amino acid methyl ester derivatives; 1H NMR spectroscopy; Infrared spectroscopy; Intramolecular hydrogen bonding; Stereoelectronic effects
A computational acumen into the relative applicability of geometrical and quantum chemical criteria in assessing intramolecular hydrogen bonding (IMHB) interaction: 5-Halosalicylic acids as representative examples
Keywords: پیوند هیدروژنی داخلی; Density functional theory; Intramolecular hydrogen bonding; Atoms-In-Molecule; Natural Bond Orbital; Molecular electrostatic potential; Resonance assisted hydrogen bond;
Redox behavior of juglone in buffered aq.: Ethanol media
Keywords: پیوند هیدروژنی داخلی; Voltammetry; Reduction; Oxidation; Intramolecular hydrogen bonding; Quasi-reversibility
On prediction of OH stretching frequencies in intramolecularly hydrogen bonded systems
Keywords: پیوند هیدروژنی داخلی; OH stretching frequencies; Two-bond isotope effects; OH chemical shifts; DFT calculations; Intramolecular hydrogen bonding
Effect of organized assemblies, part VIII: Spectrophotometetric study on the effect of micellar media on the pK of some substituted N-benzylideneanilines
Keywords: پیوند هیدروژنی داخلی; N-benzylideneaniline; Aldimines; Intramolecular hydrogen bonding; Dissociation constants; Menger micellar structure; Localization sites
KDR inhibitor with the intramolecular non-bonded interaction: Conformation–activity relationships of novel indole-3-carboxamide derivatives
Keywords: پیوند هیدروژنی داخلی; KDR inhibitor; Intramolecular non-bonded interaction; Non-bonded S–O interaction; Pseudo ring design; Indole; Intramolecular hydrogen bonding; X-ray crystallography
The structure of mono- and di-amino derivatives of cyclohexane: Energetic and Natural Bond Orbital approaches
Keywords: پیوند هیدروژنی داخلی; Cyclohexylamine; Cyclohexyldiamine; MP2 calculations; NBO analysis; 1,3-Syn-di-axial repulsions; Intramolecular hydrogen bonding;
Density functional study on the structural conformations, intramolecular charge transfer and vibrational spectra of 4-hydroxy-3-methoxy-5-nitrobenzaldehyde
Keywords: پیوند هیدروژنی داخلی; 4-Hydroxy-3-methoxy-5-nitrobenzaldehyde; Density functional theory; Intramolecular hydrogen bonding; Vibrational spectra; Conformation analysis
OH stretching frequencies in systems with intramolecular hydrogen bonds: Harmonic and anharmonic analyses
Keywords: پیوند هیدروژنی داخلی; DFT calculations; Harmonic; Anharmonic; Vibrational spectra; Intramolecular hydrogen bonding;
Synthesis, SAR and intramolecular hydrogen bonding pattern of 1,3,5-trisubstituted 4,5-dihydropyrazoles as potent cannabinoid CB1 receptor antagonists
Keywords: پیوند هیدروژنی داخلی; Cannabinoid; CB1 receptor; Antagonist; Inverse agonist; Pharmacophore; Intramolecular hydrogen bonding; Scaffold hopping; X-ray diffraction; Absolute configuration; Fluorination; Crystallography
Synthesis and spectroscopic properties of novel asymmetric Schiff bases
Keywords: پیوند هیدروژنی داخلی; Asymmetric diimine; Reduction; Tautomerism; Intramolecular hydrogen bonding; Solvent effect; Acid–base effect
Pyrazolyc 3-hydroxychromones: Regulation of ESIPT reaction by the “flavonol-like” intramolecular hydrogen bonding to carbonyl group oxygen, which dominates over the “alternative” H-bond to heterocyclic nitrogen
Keywords: پیوند هیدروژنی داخلی; 3-Hydroxychromone; Pyrazole; Intramolecular hydrogen bonding; Electronic absorption and fluorescence spectra; ESIPT; Quantum-chemical calculations; ESS-analysis
Spectroscopic investigations and ab initio computations of the dye Chromotrope 2R
Keywords: پیوند هیدروژنی داخلی; Vibrational spectra; UV–visible; PES; TD-DFT; Azo–hydrazone tautomerism; Intramolecular hydrogen bonding
A study of the intramolecular hydrogen bond in acylphloroglucinols
Keywords: پیوند هیدروژنی داخلی; Acylphloroglucinols; Intramolecular hydrogen bonding; Lone pair repulsion;
Structure of the 2-isopropylaminoethanol isolated molecule: Conformational analysis and intramolecular interactions
Keywords: پیوند هیدروژنی داخلی; 2-Isopropylaminoethanol; Conformational analysis; Intramolecular hydrogen bonding; NBO analysis; DFT calculations;
Quantum chemical computations and Fourier transform infrared spectral studies of a nonlinear food dye E110
Keywords: پیوند هیدروژنی داخلی; E110; FTIR; Conjugation; π-Electron delocalization; Intramolecular hydrogen bonding; DFT; NBO analysis
Location of Solubilization of 2â²-ethylhexyl Salicylate in Micelles
Keywords: پیوند هیدروژنی داخلی; 2â²-ethylhexyl salicylate; Solubilization in micelles; Intramolecular hydrogen bonding; Intramolecular proton transfer fluorescence; Ester hydrolysis;
Influence of cetophenolic and diphenolic intramolecular hydrogen bonding on the chromatographic and spectroscopic properties of hydroxyanthraquinones
Keywords: پیوند هیدروژنی داخلی; Anthraquinone; Intramolecular hydrogen bonding; Molecular modeling; FT-IR spectroscopy; Fluorescence; HPLC/PDA
Mononuclear cobalt(II) carboxylate complexes: Synthesis, molecular structure and selective oxygenation study
Keywords: پیوند هیدروژنی داخلی; Mononuclear complexes; Cobalt complexes; Monooxygenation; Intramolecular hydrogen bonding; Crystal structures
Dual fluorescence of N-phenylanthranilic acid: Effect of solvents, pH and β-cyclodextrin
Keywords: پیوند هیدروژنی داخلی; N-Phenylanthranilic acid; β-Cyclodextrin; Inclusion complex; Intramolecular hydrogen bonding; Solvent and pH effects
Monothiodibenzoylmethane: Structural and vibrational assignments
Keywords: پیوند هیدروژنی داخلی; Thioketones; β-Thioxoketones; Infrared spectroscopy; Linear dichroism; Raman spectroscopy; Intramolecular hydrogen bonding; Density functional theory (DFT);
Model structures for the study of acylated phloroglucinols and computational study of the caespitate molecule
Keywords: پیوند هیدروژنی داخلی; Acylated phloroglucinols; Caespitate; Intramolecular hydrogen bonding; Resonance-assisted hydrogen bond; Phloroglucinols;
Intramolecular hydrogen bonding. Spectroscopic and theoretical studies of vibrational transitions in dibenzoylmethane enol
Keywords: پیوند هیدروژنی داخلی; β-Diketones; Intramolecular hydrogen bonding; Molecular vibrations; Infrared spectroscopy; Linear dichroism; Raman spectroscopy; Anharmonic effects; Evans transmissions;
Cation supported self-assembly of coordination polymers, [(H2en)(ntpMCl2)]n (MÂ =Â ZnII, CdII, HgII) involving the tripodal acid, ntp: X-ray crystal structure and DNA binding studies on zinc helicate
Keywords: پیوند هیدروژنی داخلی; Cation template; Intramolecular hydrogen bonding; Self-assembly; Single-stranded helicate; DNA helix;
Degradation of aryl-azo-naphthol dyes by ultrasound, ozone and their combination: Effect of α-substituents
Keywords: پیوند هیدروژنی داخلی; Aryl-azo-naphthol; Chromophore; Hydroxyl radical; Electrophilic; Sonolysis; Ozonation; Mineralization; α -substituent; Intramolecular hydrogen bonding
Effect of the amino and hydroxy substituents on the photophysical properties of 1,4-disubstituted-9,10-anthraquinone dyes
Keywords: پیوند هیدروژنی داخلی; Anthraquinone dyes; Photophysical properties; Solvent polarity effect; Substituent effect; Intramolecular charge transfer; Conformational changes; Intramolecular hydrogen bonding
Synthesis and characterization of some monoorganotin(IV) chloride adducts with internally functionalized oximes: Crystal and molecular structures of nBuSnCl3 · HONC(Me)Py-2 · C6H5Me and a trinuclear hydroxo bridged stannoxane {nBuSnCl2(ONC(Me)Py-2)O
Keywords: پیوند هیدروژنی داخلی; Trinuclearstannoxanes; Internally functionalized; Intramolecular hydrogen bonding;
Solvent polarity and intramolecular hydrogen bonding effects on the photophysical properties of 1-amino-9,10-anthraquinone dye
Keywords: پیوند هیدروژنی داخلی; Photophysical properties; Quinone dyes; Intramolecular hydrogen bonding; Solvent polarity; Intramolecular charge transfer; Nonplanar structure
Intramolecular hydrogen bonding in chiral alcohols: The microwave spectrum of the chloropropanols
Keywords: پیوند هیدروژنی داخلی; FT microwave spectroscopy; Chloropropanol; Intramolecular hydrogen bonding; Supersonic expansion; Quadrupole coupling;
Strong intramolecular hydrogen bonding involving nitro- and acetyl groups. Deuterium isotope effects on chemical shifts
Keywords: پیوند هیدروژنی داخلی; Isotope effects; Intramolecular hydrogen bonding; Principal component analysis; Chemical shifts; Nitro compounds; Acetophenones
Versatility of an intramolecularly hydrogen-bonded 4-(N,N-dimethylamino)benzoate group as a signaling subunit for anion recognition
Keywords: پیوند هیدروژنی داخلی; Intramolecular hydrogen bonding; 4-(N,N-Dimethylamino)benzoate group; Chiral guanidinium ion; Anion recognition; NMR titration; CD titration; Dual fluorescence titration;
Molecular orbital computations on lipids: an ab initio exploratory study on the conformations of glycerol and its fluorine congeners
Keywords: پیوند هیدروژنی داخلی; Ab initio; Intramolecular hydrogen bonding; Glycerol; Glycerol models;