Keywords: تاتومریسیون; Tautomerization; Amorphous bicalutamide; Proton transfer reaction; DFT calculation; Dielectric spectroscopy;
مقالات ISI تاتومریسیون (ترجمه نشده)
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Keywords: تاتومریسیون; Cyclic ureas; CO2 utilization; Diamines; Carboxylation; Tautomerization;
Keywords: تاتومریسیون; Methyl acenes; Perfluoroalkylation; Radical reaction; Photo reaction; Tautomerization;
Keywords: تاتومریسیون; Flavylium; Anthocyanins; Photochromism; Stopped flow; Flash photolysis; Tautomerization
Synthesis and dynamic 1H NMR study of pyrazolo substituted pyrrolo[2,3-d]pyrimidines via a regioselective heterocyclization
Keywords: تاتومریسیون; Arylglyoxal; 6-Aminouracil; Pyrrolo [2,3-d] pyrimidine; Tautomerization; Fee-energy barrier;
Hydrodeoxygenation of m-cresol over bimetallic NiFe alloys: Kinetics and thermodynamics insight into reaction mechanism
Keywords: تاتومریسیون; Hydrogenation; Tautomerization; Hydrodeoxygenation; Cresol; Microkinetics; Ni; NiFe; DFT;
Dependence of color change of vinylethylene carbonate copolymers having N-substituted maleimides on chemical structure by acid-base switching in solution and solid state
Keywords: تاتومریسیون; Radical copolymerization; N-substituted maleimide; Tautomerization; Reversible color change; Acid-base switching;
A Novel Organic Conversion Coating based on N-Benzoyl-N-Phenylhydroxylamine Chemistry for the Corrosion Protection of AA2024-T3
Keywords: تاتومریسیون; N-Benzoyl-N-phenylhydroxylamine; corrosion; conversion coating; tautomerization;
DFT calculations of the tautomerization and NLO properties of 5-amino-7-(pyrrolidin-1-yl)-2,4,4-trimethyl-1,4-dihydro-1,6-naphthyridine-8-carbonitrile (APNC)
Keywords: تاتومریسیون; Naphthyridine derivatives; Tautomerization; NLO; Traditional hybrid and LC-DFT; Intramolecular proton transfer;
Tautomeric stabilities of 4-fluorohistidine shed new light on mechanistic experiments with labeled ribonuclease A
Keywords: تاتومریسیون; Fluorinated amino acids; Histidine; RNA hydrolysis; Enzymatic mechanism; Tautomerization;
Theoretical investigations of tautomeric equilibrium of 9-methyl-8-aza-iso-Guanine and its electrostatic properties
Keywords: تاتومریسیون; Quantum chemistry; Composite methods; Hybrid methods; Tautomerization; Expanded genetic code; Hirshfeld partial charge; Zwitterion;
Indole-containing new types of dyes and their UV–vis and NMR spectra and electronic structures: Experimental and theoretical study
Keywords: تاتومریسیون; Indole; Dye; NMR; Tautomerization; TD-DFT; Conjugation
A BODIPY analogue from the tautomerization of sodium 3-oxide BODIPY
Keywords: تاتومریسیون; Bodipy; Substitution reaction; Tautomerization; Sodium salt
A novel Fischer pseudo-benzylic decarboxylation approach to the 1,2,3,4-tetrahydro-cyclopenta[b]indol-3-yl system
Keywords: تاتومریسیون; Indoles; Fischer synthesis; Decarboxylation; Tautomerization; Hydrolysis;
A theoretical study on the structure of 2-amino-1,3,4-thiadiazole and its 5-substituted derivatives in the gas phase, water, THF and DMSO solutions
Keywords: تاتومریسیون; 2-Amino-1,3,4-thiadiazole; Ab initio method; DFT method; Solvent effect; Tautomerization;
Highly selective probe based on imine linkage for Zn2+ and HSO3â in mixed aqueous media
Keywords: تاتومریسیون; Tautomerization; Solvatochromism; Salicylideneaniline; Chemosensor; Chromogenic; Multianalyte detection;
Structure, stability, energy barrier and ionization energies of chemically modified DNA-bases: Quantum chemical calculations on 37 favored and rare tautomeric forms of tetraphosphoadenine
Keywords: تاتومریسیون; Adenine; Tetraphosphoadenine; Tautomerization; DFT; BMK; CBS-QB3;
Photoinduced excited state intramolecular proton transfer of 2-(2′-hydroxyphenyl)phenanthro[9,10-d]oxazole: A comprehensive theoretical study
Keywords: تاتومریسیون; Excited state intramolecular proton transfer; Ab initio; Tautomerization; Surface crossing
Synthesis, characterization and intramolecular proton transfer of 3,3′-dihydroxy-4,4′-[5-methyl-1,3-phenylenebis(nitrilomethylidyne)]-bis-phenol
Keywords: تاتومریسیون; Schiff base; DFT; Assignment; Intramolecular proton transfer; AIM analysis; Tautomerization
Kinetics and mechanism of m-cresol hydrodeoxygenation on a Pt/SiO2 catalyst
Keywords: تاتومریسیون; Lignin; Phenolic compound; Cresol; Pt/SiO2; Hydrodeoxygenation; Hydrogenation; Tautomerization;
Decomposition of amino diazeniumdiolates (NONOates): Molecular mechanisms
Keywords: تاتومریسیون; UPGVGHGHHNGGPJ-UHFFFAOYSA-NDiazeniumdiolates; NONOates; NO donor; Mechanism; Tautomerization; Ab initio calculations
Electronic aspects of the phosphine-oxide → phosphinous acid tautomerism and the assisting role of transition metal centers
Keywords: تاتومریسیون; Phosphine oxide; Phosphinous acid; Tautomerization; Ruthenium; Water chemistry; DFT mechanistic studies
Selective conversion of m-cresol to toluene over bimetallic Ni–Fe catalysts
Keywords: تاتومریسیون; Ni–Fe/SiO2; Hydrodeoxygenation; Cresol; Biomass; Tautomerization
FT-IR and FT-Raman spectra of 5-fluoroorotic acid with solid state simulation by DFT methods
Keywords: تاتومریسیون; 5-Fluoroorotic acid; FT-Raman spectroscopy; FT-IR spectroscopy; Vibrational wavenumbers; Tautomerization; Thermodynamic parameters
Ab initio study on transition states of formohydroxamic acid tautomerization in the presence of water molecules
Keywords: تاتومریسیون; Formohydroxamic acid; Tautomerization; Activation energy; Water molecules; Transition state;
Design, synthesis, cytotoxic evaluation and tubulin inhibitory activity of 4-aryl-5-(3,4,5-trimethoxyphenyl)-2-alkylthio-1H-imidazole derivatives
Keywords: تاتومریسیون; Cytotoxicity activity; Cell cycle analysis; Tubulin polymerization; Tautomerization; 2-Alkylthio-1H-imidazole
Molecular structure and OH⋯O hydrogen bond in 1-aryl-1,3-diketone malonates
Keywords: تاتومریسیون; 1,3-Diketone malonates; Tautomerization; Resonance assisted hydrogen bonding; DFT; X-ray diffraction; Benzoylacetone
Synthesis, cyclooxygenase inhibitory effects, and molecular modeling study of 4-aryl-5-(4-(methylsulfonyl)phenyl)-2-alkylthio and -2-alkylsulfonyl-1H-imidazole derivatives
Keywords: تاتومریسیون; Cyclooxygenase; Human whole blood assay; Docking; Tautomerization; 2-Alkylthio-1H-imidazole; 2-Alkylsulfonyl-1H-imidazole
Computer modeling on the tautomerization of sulbactam intermediate in SHV-1 β-lactamases: E166A mutant vs. wild type
Keywords: تاتومریسیون; Molecular dynamics simulations; Density functional theory; Tautomerization; Proton transfer; β-Lactamases
A density functional theory study on the intramolecular proton transfer in 6-thioguanine and alkali metal cations substituted derivatives (M-TG, MÂ =Â Li+, Na+, K+)
Keywords: تاتومریسیون; 6-Thioguanine; Density functional theory; Transition state; Tautomerization; Intramolecular proton transfer;
The tautomerization between keto- to phenol-hydrazone induced by anions in the solution
Keywords: تاتومریسیون; Anion recognition; Tautomerization; Naked-eye; Theoretical investigation; Hydrazone derivative
Proton transfer tautomerization mechanisms of 2-thioxanthine
Keywords: تاتومریسیون; 2-Thioxanthine; Proton transfer; Tautomerization; G3MP2;
Density functional theory study of interaction, bonding and affinity of group IIb transition metal cations with nucleic acid bases
Keywords: تاتومریسیون; Nucleobase; Tautomerization; Stability; Metal ion affinity; Monocoordination; Bicoordination;
The effect of self-aggregation on the determination of the kinetic and thermodynamic constants of the network of chemical reactions in 3-glucoside anthocyanins
Keywords: تاتومریسیون; Anthocyanins; Aggregation; 3-Glucosides; Protonation; Hydration; Tautomerization; Isomerization;
The evidence for the occurrence of tautomeric structures for selected aldehydes and thioaldehydes
Keywords: تاتومریسیون; Tautomerization; Aldehydes; Mass spectrometry; Theoretical calculations
Preparation of d-galactofuranosyl nitromethanes: a revision and a new approach
Keywords: تاتومریسیون; Anhydronitroalditol; Glycosyl nitromethane; 1-Deoxy-2-O-methyl-1-nitroalditol beta-elimination; 1-Deoxy-1-nitrohept-1-enitol; Tautomerization; Aldose mutarotation;
Spectrophotometric and spectrofluorimetric investigation of different equilibria of a recently synthesized Schiff base with the aid of chemometric methods
Keywords: تاتومریسیون; Schiff base; Tautomerization; Fluorescence; Acidic constants; Hard model; RAFA;
Theoretical studies of iridium-mediated tautomerization of substituted pyridines
Keywords: تاتومریسیون; Tautomerization; N-heterocyclic carbenes; Density functional calculations
A DFT study of the properties of substituted pyrrolidines and phospholanes in gas and in aqueous phase
Keywords: تاتومریسیون; Substitution; DFT; Relative energies; Solvation; Isomerization; Tautomerization;
Solid and solution structures of bulky tert-butyl substituted salicylaldimines
Keywords: تاتومریسیون; Schiff bases; Salicylaldimine; Hydrogen bond; Crystal structure; Tautomerization
Transition metal alkylidene complexes. Pathways in their formation and tautomerization between bis-alkylidenes and alkyl alkylidynes
Keywords: تاتومریسیون; Alkylidene; Bis-alkylidene; Alkylidyne; Silyl; α-H migration; Tautomerization
Stabilization of γ-lactam and lactone ring-fused norcaradienes by protonation: DFT calculations of norcaradiene and the corresponding cycloheptatriene structures
Keywords: تاتومریسیون; Norcaradiene; Tautomerization; 13C NMR; B3LYP calculations;
What is the real existing form of imexon? - Quantum chemical studies
Keywords: تاتومریسیون; Imexon; Tautomerization; DFT; Solvent effect; NMR;
Molecular structure and tautomerization of the 1:1 complex of luteoskyrin and rugulosin
Keywords: تاتومریسیون; Luteoskyrin; Rugulosin; Tautomerization; X-ray analysis; Molecular structure; Cytotoxicity
Theoretical study of tautomerization and isomerization of methylamino- and phenylamino-substituted cyclic azaphospholines, oxaphospholines and thiaphospholines in gas and aqueous phases
Keywords: تاتومریسیون; Solvation; Stability; Tautomerization; Isomerization;
Spectrometric studies and theoretical calculations of some β-ketonitriles
Keywords: تاتومریسیون; Tautomerization; β-Ketonitriles; Mass spectrometry; Theoretical calculations
Binding and stabilization of transthyretin by curcumin
Keywords: تاتومریسیون; Transthyretin; Curcumin; Amyloidosis; Fluorescence quenching; Tautomerization
Tautomerization of lumichrome promoted by supramolecular complex formation with cucurbit[7]uril
Keywords: تاتومریسیون; Self-assembly; Inclusion complex; Fluorescence; Tautomerization; Host–guest binding
A DFT study on pyridine-derived N-heterocyclic carbenes
Keywords: تاتومریسیون; N-Heterocyclic carbenes; Thermodynamic and kinetic stability; Tautomerization; Nucleophilicity; DFT calculations;
Azido-tetrazole equilibrium in 2-azidothiazole system. Molecular orbital calculations
Keywords: تاتومریسیون; Azidothiazole; Thiazolo-tetrazole; Ring closure; Tautomerization;