Keywords: انتقال پروتون بین داخل مولکولی; Single-molecule junction; Spin filtering effect; Intramolecular proton transfer; Nonequilibrium Green's function method;
مقالات ISI انتقال پروتون بین داخل مولکولی (ترجمه نشده)
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Keywords: انتقال پروتون بین داخل مولکولی; Fluorescent probe; Ozone; Intramolecular proton transfer; Turn on; Visual detection;
Keywords: انتقال پروتون بین داخل مولکولی; H- and J-aggregates; Confinement effect; Intramolecular proton transfer; Host-guest and guest-guest interactions; Femtosecond spectroscopy;
Keywords: انتقال پروتون بین داخل مولکولی; Intramolecular proton transfer; Matrix-assisted laser desorption ionization; Mass spectrometry; Polar analyte;
Solvent effects on excited state intramolecular proton transfer mechanism in 4-(N,N-dimethylamino)-3-hydroxyflavone
Keywords: انتقال پروتون بین داخل مولکولی; Intramolecular proton transfer; Hydrogen bond; Frontier molecular orbitals; Potential energy curves;
Theoretical investigation on excited state intramolecular proton transfer of 1-aryl-2-(furan-2-yl) butane-1, 3-diones substitutions
Keywords: انتقال پروتون بین داخل مولکولی; Intramolecular proton transfer; Potential energy curve; Hydrogen bond; Excited state;
TDDFT study on excited state intramolecular proton transfer mechanism in 2-amino-3-(2â²-benzazolyl)-quinolines
Keywords: انتقال پروتون بین داخل مولکولی; Intramolecular proton transfer; Deactivation mechanism; Hydrogen bond; Potential energy surfaces;
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: انتقال پروتون بین داخل مولکولی; Naphthyridine derivatives; Tautomerization; NLO; Traditional hybrid and LC-DFT; Intramolecular proton transfer;
Synthesis, experimental and theoretical characterizations of some new pyrrolo[2,3-d]pyrimidine derivatives bearing an aromatic sulfonamide moiety
Keywords: انتقال پروتون بین داخل مولکولی; Pyrrolo[2,3-d]pyrimidine; DMAP; DFT; Tautomerism; Intramolecular proton transfer;
Spectroscopy and relaxation dynamics of salicylideneaniline derivative aggregates encapsulated in MCM41 and SBA15 pores
Keywords: انتقال پروتون بین داخل مولکولی; Photobehavior; H- and J-aggregates; Confinement effect; Intramolecular proton transfer; Silica-based nanomaterials
A DFT investigation of structure, spectroscopic properties and tautomerism of the anticonvulsant drug Lyrica
Keywords: انتقال پروتون بین داخل مولکولی; Pregabalin; Lyrica; DFT; PCM; Tautomerism; Intramolecular proton transfer
Plumbagin as colorimetric and ratiometric sensor for arginine
Keywords: انتقال پروتون بین داخل مولکولی; Plumbagin; Colorimetric and ratiometric sensor; Arginine; Intramolecular proton transfer; DFT calculations;
Intramolecular proton transfer through the adjoining π-conjugated system in Shiff base: Application for colorimetric sensing of fluoride anion
Keywords: انتقال پروتون بین داخل مولکولی; Fluoride; Anion recognition; Intramolecular proton transfer; Azo dye
Theoretical analysis of salt effect on intramolecular proton transfer reaction of glycine in aqueous NaCl solution
Keywords: انتقال پروتون بین داخل مولکولی; Intramolecular proton transfer; Glycine; Salt effect; RISM-SCF;
Synthesis, characterization and intramolecular proton transfer of 3,3′-dihydroxy-4,4′-[5-methyl-1,3-phenylenebis(nitrilomethylidyne)]-bis-phenol
Keywords: انتقال پروتون بین داخل مولکولی; Schiff base; DFT; Assignment; Intramolecular proton transfer; AIM analysis; Tautomerization
Fluorescence excitation and excited state intramolecular relaxation dynamics of jet-cooled methyl-2-hydroxy-3-naphthoate
Keywords: انتقال پروتون بین داخل مولکولی; Methyl-2-hydroxy-3-naphthoate; Fluorescence excitation; Supersonic jet; Vibronic structure; Intramolecular proton transfer; Conformer;
Computational and spectroscopic studies of a new Schiff base 3-hydroxy-4-methoxybenzylidene(2-hydroxyphenyl)amine and molecular structure of its corresponding zwitterionic form
Keywords: انتقال پروتون بین داخل مولکولی; DFT study; Intramolecular proton transfer; Schiff base; Zwitterionic
The prototropic tautomerism and substituent effect through strong electron-withdrawing group in (E)-5-(diethylamino)-2-[(3-nitrophenylimino)methyl]phenol
Keywords: انتقال پروتون بین داخل مولکولی; Schiff base; DFT; Computational study; Intramolecular proton transfer; FT-IR; UV–vis
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: انتقال پروتون بین داخل مولکولی; 6-Thioguanine; Density functional theory; Transition state; Tautomerization; Intramolecular proton transfer;
Effect of α- and β-cyclodextrins on the intramolecular charge transfer and intramolecular proton transfer fluorescence of methyl o-hydroxy p-dimethylaminobenzoate
Keywords: انتقال پروتون بین داخل مولکولی; Inclusion complex; Cyclodextrins; Hydrogen bond; Solute-solvent interactions; Intramolecular charge transfer; Intramolecular proton transfer;
Investigating the prototropic tautomerism in (E)-2-[(4-fluorophenyl)iminomethyl]-5-methoxyphenol compound for solid state and solvent media by experimental and quantum computational tools
Keywords: انتقال پروتون بین داخل مولکولی; Schiff base; DFT; TD-DFT; Computational study; Intramolecular proton transfer; IR;
Molecular structure, spectroscopic investigations, second-order nonlinear optical properties and intramolecular proton transfer of (E)-5-(diethylamino)-2-[(4-propylphenylimino)methyl]phenol: A combined experimental and theoretical study
Keywords: انتقال پروتون بین داخل مولکولی; Density functional theory; Crystal structure; Second-order non-linear optical properties; Intramolecular proton transfer; IR and UV–vis spectra; Schiff base
Analyzing the efficiency of proton transfer to carbon in Kirby's enzyme model-a computational approach
Keywords: انتقال پروتون بین داخل مولکولی; Enol ether hydrolysis; Proton transfer to carbon; Intramolecular proton transfer; DFT calculations; Kirby's enzyme model; Proximity orientation;
Probing the compound (E)-5-(diethylamino)-2-[(4-methylphenylimino)methyl]phenol mainly from the point of tautomerism in solvent media and the solid state by experimental and computational methods
Keywords: انتقال پروتون بین داخل مولکولی; Schiff base; Computational method; Tautomerism; Intramolecular proton transfer; Spectroscopic investigation
Molecular structure of (Z)-6-[(5-chloro-2-hydroxyphenylamino) methylene]-3-(diethylamino)cyclohexa-2,4-dienone: A combined experimental and theoretical study
Keywords: انتقال پروتون بین داخل مولکولی; Schiff base; Tautomerism; Intramolecular proton transfer; HOMA; DFT;
Analyzing the efficiency in intramolecular amide hydrolysis of Kirby's N-alkylmaleamic acids - A computational approach
Keywords: انتقال پروتون بین داخل مولکولی; Enzyme catalysis; Intramolecular proton transfer; DFT calculations; Strain effects; Maleamic acid amide derivatives; Amide hydrolysis;
Spectroscopic, molecular structure characterizations and quantum chemical computational studies of (E)-5-(diethylamino)-2-[(2-fluorophenylimino)methyl]phenol
Keywords: انتقال پروتون بین داخل مولکولی; Schiff base; DFT; TD-DFT; Computational study; Non-linear optical properties; Intramolecular proton transfer;
3-Hydroxybenzo[g]quinolones: dyes with red-shifted absorption and highly resolved dual emission
Keywords: انتقال پروتون بین داخل مولکولی; Fluorescent sensors; Ratiometric probes; Intramolecular proton transfer; ESIPT; 3-Hydroxyquinolones; Solvent basicity; Hydrogen-bond acceptor ability;
Solid state tautomerism in 2-((phenylimino)methyl)naphthalene-1-ol
Keywords: انتقال پروتون بین داخل مولکولی; Tautomerism; Schiff bases; Intramolecular proton transfer; Crystallography; Spectroscopy; Photochromic dyes
Theoretical study on molecular structures, intramolecular proton transfer reaction, and solvent effects of 1-phenyl-3-methyl-4-(6-hydro-4-amino-5-sulfo-2,3-pyrazine)-pyrazole-5-one
Keywords: انتقال پروتون بین داخل مولکولی; Density functional theory; B3LYP; Intramolecular proton transfer; Hydrogen bond; Solvent effects;
Ground and excited state intramolecular proton transfer controlled intramolecular charge separation and recombination: A new type of charge and proton transfer reaction
Keywords: انتقال پروتون بین داخل مولکولی; Intramolecular proton transfer; Intramolecular charge transfer; Dual fluorescence;
Understanding the photophysics of 4-nitro-1-hydroxy-2-naphthoic acid: A controlled excited state proton transfer
Keywords: انتقال پروتون بین داخل مولکولی; Intramolecular proton transfer; Hydroxy naphthoic acid; Zwitterion; Deprotonation;
Theoretical study on the intramolecular proton transfer reactions of 3-methyl-5-hydroxyisoxazole and its water complexes
Keywords: انتقال پروتون بین داخل مولکولی; 3-Methyl-5-hydroxyisoxazole; Density functional theory; Second order MÏller-Plesset perturbation theory (MP2); Intramolecular proton transfer;
Theoretical study on proton tautomerism of chryosphanol and its analogues in the ground and excited states
Keywords: انتقال پروتون بین داخل مولکولی; Intramolecular proton transfer; Excited state; Chryosphanol;
A fluorescent chemical sensor for Fe3+ based on blocking of intramolecular proton transfer of a quinazolinone derivative
Keywords: انتقال پروتون بین داخل مولکولی; Intramolecular proton transfer; Fluorescent chemical sensor; Iron(III) ion; Quinazolinone derivative
Experimental and theoretical studies of electronic energy states of methyl benzoate derivatives
Keywords: انتقال پروتون بین داخل مولکولی; Methyl benzoate; Absorption and emission spectra; Semiempirical calculation; IPT; Intramolecular proton transfer; ICT; Intramolecular charge transfer; McH; Methylcyclohexane; THF; Tetrahydrofuran; EtOH; Ethanol; IP-DE; Isopentane-diethyl ether mixture
Photophysical studies of 7-hydroxy-4-methyl-8-(4′-methylpiperazin-1′-yl) methylcoumarin: A new fluorescent chemosensor for zinc and nickel ions in water
Keywords: انتقال پروتون بین داخل مولکولی; Chemosensor; Coumarin; Intramolecular proton transfer; Solvatochromic shift; Chelation-enhanced fluorescence
A highly selective fluorescent sensor for Cu2+ based on 2-(2â²-hydroxyphenyl)benzoxazole in a poly(vinyl chloride) matrix
Keywords: انتقال پروتون بین داخل مولکولی; Intramolecular proton transfer; Fluorescent chemical sensor; Cu(II) ion; Benzoxazole derivative;
Quantum study on photophysical and photochemical process of a new photosensitizer: hypomycin B
Keywords: انتقال پروتون بین داخل مولکولی; Excited state; HMB; Intramolecular proton transfer; Photophysical and photochemical process;