Keywords: تاتومریسم; Aminonitrone; Nitrone; Hydroxamic acid; Tautomerism; DFT; QTAIM;
مقالات ISI تاتومریسم (ترجمه نشده)
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Keywords: تاتومریسم; Excited-state double proton transfer; Hydroxyflavone fluorophore; DFT/TDDFT; Hydrogen bonding; Tautomerism; Fluorescence emission and quenching;
Keywords: تاتومریسم; Double-core-hole spectroscopy; Tautomerism; Cytosine; Wagner plot;
Keywords: تاتومریسم; Tautomerism; Protonated imidazole; Resonance; Valence bond (VB); Block-localized wavefunction (BLW);
Keywords: تاتومریسم; Carbonite; Carbon dioxide dianion; Dioxycarbene; Carbon dioxide activation; Tautomerism;
Keywords: تاتومریسم; Nitrosopyrazoles; Aminopyrazoles; Acylation; Tautomerism;
Keywords: تاتومریسم; Pyrazoles; Pyrazolones; Natural pyrazole; Tautomerism; DFT calculations; Antioxidants; Structural design;
Keywords: تاتومریسم; 4-((2-hydroxynaphthalen-1-yl)diazenyl)-3,5-dinitrobenzoic acid; 1-((2-nitrophenyl)diazenyl)naphthalen-2-ol; Tautomerism; Quantum chemistry; DFT; Molecular spectroscopy;
Keywords: تاتومریسم; Benzohydroxamic acid; DFT; Tautomerism; Aqueous solvation; Hydrogen bonding;
Hydrophobic supramolecular assemblies of Keggin anions with lactam-lactim cationic tautomers
Keywords: تاتومریسم; Polyoxometalate; Caprolactam; Tautomerism; Optical band gap; Cyclic voltammetry;
Keywords: تاتومریسم; Benzimidazole synthesis; Tautomerism; Polarized light microscopy; DSC; DFT;
Keywords: تاتومریسم; Guanylated bioamine; Agmatine; Tautomerism; Conformations; Intramolecular H-bonding; Superbasicity; DFT studies;
Keywords: تاتومریسم; Aminofluorescein; Dissociation constant; Water-ethanol solvent system; Glass electrode; Visible spectroscopy; Tautomerism;
Keywords: تاتومریسم; Rotary switch; Tautomerism; Hydrazone; NMR; UV-Vis spectroscopy; DFT;
Keywords: تاتومریسم; Acridine; Nucleophilic aromatic substitution of hydrogen; Amination; Carbamoyl amination; Tautomerism;
Keywords: تاتومریسم; Semicarbazide; Spectroscopy; Tautomerism; Quantum chemical calculations
Keywords: تاتومریسم; Azo-azomethines dye; Tautomerism; Solvatochromism; Antimicrobial activity; Density functional theory; TDDFT; PCM
Keywords: تاتومریسم; Synthesis; Tautomerism; Chalcones; Pyrazolines; Raman; DFT
Keywords: تاتومریسم; Symmetric diimine; Asymmetric triimine; Reduction; Tautomerism; Organic sensor
Keywords: تاتومریسم; Anhydrous/hydrated 2-mercaptoimidazole; Tautomerism; X-ray diffraction; Enthalpy of formation; Enthalpy of sublimation; Heat capacity
Keywords: تاتومریسم; Photoelectron spectroscopy; Aryl ketones; Tautomerism;
Keywords: تاتومریسم; Tetrazole; Vibrational spectroscopy; Quantum chemical calculations; Crystal structure; Conformational analysis; Tautomerism
Keywords: تاتومریسم; Enaminones; Tautomerism; Mass spectrometry;
Keywords: تاتومریسم; Triazolone; Substituent effect; Tautomerism; sEDA; pEDA; HOMA;
Keywords: تاتومریسم; Fluorescein methyl ether; Molecular and nuclear magnetic resonance spectroscopy; Dissociation constants; Tautomerism; X-ray structure analysis
Keywords: تاتومریسم; Chromone; Substituent effect; Tautomerism; sEDA; pEDA; HOMA;
Keywords: تاتومریسم; Spiro-pyrazolines; 1,3-Dipolar cycloaddition; Tautomerism; Heterocycles; Indolines; Regioselectivity;
Keywords: تاتومریسم; Curcumin; Tautomerism; UV–Vis spectroscopy; Chemometrics; DFT; Water effect
Keywords: تاتومریسم; Guanine base; Metal counterions; Intramolecular single proton transfer; Tautomerism; Ab initio and density functional theory;
Keywords: تاتومریسم; Ab-initio; Semi-empirical; MO calculations; Möller-Plesset MP2; NDDO; AM1; PM3; 1,4-Diazepines; Tautomerism
Keywords: تاتومریسم; Bis-azo dye; 2,4-Thiazolidinonedione; Spectroscopy; Tautomerism; Antioxidant activity; Antibacterial activity;
Keywords: تاتومریسم; Hetarylazopyrazolone dyes; Solvatochromic behaviour; Tautomerism; Substituent effect; DFT; TD-DFT/IEFPCM
Keywords: تاتومریسم; Xanthine; Tautomerism; Density functional theory; Solvent effect; Infrared spectroscopy; Hydrogen bonding
Keywords: تاتومریسم; Tautomerism; Keto-enol equilibrium; Hyperconjugation; Through-bond interactions; Overlap repulsion;
Keywords: تاتومریسم; Tautomerism; Microspeciation; Neurotransmitter; Dopamine; Tyramine; Zwitterion;
Keywords: تاتومریسم; Azo dye; Solvatochromism; Mixed solvent; Heterocyclic amine; Diazotization; Tautomerism;
Keywords: تاتومریسم; Tautomerism; Electric field; GAPT; Ab initio;
Keywords: تاتومریسم; Imidazolinone; Tautomerism; 15N NMR; EXSY; X-ray; Prototropism
Keywords: تاتومریسم; Schiff base; NLO; X-ray; GTO; STO; Tautomerism
Keywords: تاتومریسم; Schiff bases; Tautomerism; Hirshfeld surface analysis; Density functional theory; Enol-imine; Keto-amine
Keywords: تاتومریسم; Mannich bases; DFT calculations; Tautomerism; pKa differences; OH stretching frequency predictions
Keywords: تاتومریسم; 5-Nitro-1H-indazole; Heterocyclic dyes; Optical properties; Density function theory calculations; Tautomerism
Raman spectra of terephthalic acid crystals in the temperature range 5Â K-300Â K
Keywords: تاتومریسم; Molecular crystals; Hydrogen bonds; Tautomerism; Proton tunneling; Proton hopping;
Some structural aspects of ammeline - Keto preference and dimerization
Keywords: تاتومریسم; Ammeline; Tautomerism; Keto; Enol; Dimerization;
Experimental and theoretical studies on thermodynamics and properties of tautomers of 2-substituted 6(4)-methyl-1,4(1,6)-dihydropyrimidine-5-carboxylates
Keywords: تاتومریسم; Dihydropyrimidine; Tautomerism; Tautomer; Thermodynamics; DFT calculation;
Structure, tautomerism, spectroscopic and DFT study of o-vanillin derived Schiff bases containing thiophene ring
Keywords: تاتومریسم; Thiophene; o-vanillin; X-ray crystal structure; Tautomerism; Spectroscopy; DFT;
Multiple dynamics of aroylhydrazone induced by mutual effect of solvent and light - spectroscopic and computational study
Keywords: تاتومریسم; Aroylhydrazones; Tautomerism; cis-trans isomerism; Spectroscopic methods; Computational study;
A concept for stimulated proton transfer in 1-(phenyldiazenyl)naphthalen-2-ols
Keywords: تاتومریسم; Tautomerism; Molecular switches; Molecular spectroscopy; Azo dyes;
Effect of magnesium on FOX-7 and its tautomers-A DFT treatment
Keywords: تاتومریسم; FOX-7; DADE; DADNE; Explosives; DFT calculations; Tautomerism; Magnesium;
Photophysical properties and biological evaluation of a Zinc(II)-5-methyl-1H-pyrazole Schiff base complex
Keywords: تاتومریسم; DFT/TDDFT calculations; Antitumor agents; Fluorescence spectroscopy; Host-guest systems; Tautomerism;