Keywords: اثر حلال; Azo dye; Electronic absorption spectra; Fluorescence spectra; Solvent effect; Push-pull molecule; Charge transfer band;
مقالات ISI اثر حلال (ترجمه نشده)
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Keywords: اثر حلال; Solvent effect; Polyaniline; Doping; Conducting composite; Lightning strike protection; Conductivity
Keywords: اثر حلال; Poly(3,4-ethylenedioxypyrrole); Solvent effect; Electrochemical polymerisation; UV–vis spectroelectrochemistry; Electron spin resonance
BODIPY parent compound: Fluorescence, singlet oxygen formation and properties revealed by DFT calculations
Keywords: اثر حلال; BODIPY; Fluorescence; Absorption; Solvent effect; DFT calculation;
Two efficient pH sensors based on heteronuclear metal-organic frameworks
Keywords: اثر حلال; MOFs; Metal clusters; Solvent effect; pH sensors;
A combined experimental and density functional theory investigation of the hydrogen bonding of 2-cyclohexen-1-one and 3-methyl- 2-cyclohexen-1-one in solvents
Keywords: اثر حلال; Hydrogen bonding; Solvent effect; 2-Cyclohexen-1-one; Vibrational assignment; Electronic transition; DFT calculation;
Synthesis, spectroscopic (UV-vis, FT-IR and NMR), solubility in various solvents, X-ray, NBO, NLO and FMO analysis of (L1) and [(L1)PdCl2] complex: A comprehensive experimental and computational study
Keywords: اثر حلال; X-ray crystallography; UV-vis; NMR; FT-IR; NLO; Solvent effect; NBO; Global hardness; Global softness; Electro negativity; Electrophilicity index; Chemical potential;
Equilibrium solubility, solvent effect and preferential solvation of chlorhexidine in aqueous co-solvent solutions of (methanol, ethanol, N,N-dimethylformamide and 1,4-dioxane)
Keywords: اثر حلال; Chlorhexidine; Solubility; Jouyban-Acree; Inverse Kirkwood-Buff integrals; Preferential solvation; Solvent effect;
Solubility modelling, solvent effect and preferential solvation of carbendazim in aqueous co-solvent mixtures of N,N-dimethylformamide, methanol, ethanol and n-propanol
Keywords: اثر حلال; Carbendazim; Solubility; Jouyban-Acree; Solvent effect; Inverse Kirkwood-Buff integrals; Preferential solvation;
Experimental solubility evaluation and thermodynamic analysis of biologically active D-tryptophan in aqueous mixtures of N,N-dimethylformamide and several alcohols
Keywords: اثر حلال; D-tryptophan; Solubility; Jouyban-Acree; IKBI; Solvent effect; Preferential solvation;
NMR determination of solvent dependent behavior and XRD structural properties of 4-carboxy phenylboronic acid: A DFT supported study
Keywords: اثر حلال; 4-carboxy phenylboronic acid; NMR; XRD; DFT; Solvent effect;
Effect of solvents on photocatalytic reduction of CO2 mediated by cobalt complex
Keywords: اثر حلال; 82.30.Vy; 82.33.-z; Photocatalysis; CO2 reduction; Solvent effect; Photochemistry; Electron transfer;
Structures and electronic properties of halogenated Au(III) phthalocyanine AuPcX (Xâ¯=â¯Cl, Br): A Density Functional Theoretical Study
Keywords: اثر حلال; Phthalocyanine; Density functional theory; HOMO; Solvent effect;
Visible light-driven oxygen evolution using a binuclear Ru-bda catalyst
Keywords: اثر حلال; Water oxidation; Binuclear ruthenium catalyst; Photocatalysis; Solvent effect; Kinetics;
The effects of solvent and ultrasonic irradiation in synthesis of thallium(I) nano supramolecular polymers and use them as template for synthesis of thallium(III) oxide nanostructures with desirable morphology
Keywords: اثر حلال; Sonochemical; Solvent effect; Nanostructure; Supramolecular polymer; Thallium(III) oxide; Solid-state;
Electrolytic solvent effects on the gassing behavior in LCO||LTO batteries
Keywords: اثر حلال; Li4Ti5O12; Gassing issue; Solvent effect; Cut off voltage; Propylene carbonate based electrolytes;
Fabrication of hierarchical bismuth oxyhalides (BiOX, XÂ =Â Cl, Br, I) materials and application of photocatalytic hydrogen production from water splitting
Keywords: اثر حلال; BiOX; Microwave synthesis; Solvent effect; Water splitting; Hydrogen production;
Electrochemical behavior of poly-bithiophene, poly-3,4-ethylendioxythiophene and poly-3,4-ortho-xylendioxythiophene in EtOH/H2O (1:1) mixture
Keywords: اثر حلال; Conducting polymers; Solvent effect; Cyclic voltammetry; Charge trapping; Chronoamperometry; EtOH/H2O media; Anodic stripping voltammetry;
Density functional theory study on ruthenium dyes and dye@TiO2 assemblies for dye sensitized solar cell applications
Keywords: اثر حلال; Cyclometalation; Density functional theory; Dye sensitized solar cell; Ru-sensitizers; Solvent effect; Thiocyanate-free;
Colorimetric detection of Cu2+ and UO22+ by mixed solvent effect
Keywords: اثر حلال; Solvent effect; Selectivity; Colorimetric recognition; Coordination control; DFT calculation;
Solvent effects on the coupling reaction of CO2 with PO catalyzed by hydroxyl imidazolium ionic liquid: Comparison of different models
Keywords: اثر حلال; Double-IL model; Cluster-IL model; ONIOM; Solvent effect; Hydrogen bond;
Solvent effects on the retention mechanisms of an amylose-based sorbent
Keywords: اثر حلال; Solvent effect; Thermodynamic retention model; Chromatography; Polysaccharide-based sorbent; Van't Hoff plot; Adsorption isotherm;
A selection rule of solvent for highly aligned diketopyrrolopyrrole-based conjugated polymer film for high performance organic field-effect transistors
Keywords: اثر حلال; Organic field-effect transistor; Polymer alignment; Solvent effect; Conjugated polymer; Off-central coating;
Theoretical insight into the effect of solvent polarity on the formation and morphology of 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane (CL-20)/2,4,6-trinitro-toluene(TNT) cocrystal explosive
Keywords: اثر حلال; Cocrystal; Molecular dynamics; Polarity; Solvent effect;
Insight into the formation mechanism and kinetics for the oxidative carbonylation of methanol to dimethyl carbonate over CuO catalyst: Effects of Cu valence state and solvent environment
Keywords: اثر حلال; Dimethyl carbonate; Oxidative carbonylation; Cu valence state; Solvent effect; Density functional theory;
Log D analysis using dynamic approach
Keywords: اثر حلال; Dynamic approach; Log D analysis; Monoprotic; Diprotic; Mono alkaline; Amphoteric; Salt effect; Solvent effect; Diamino-monoprotic molecules;
The effect of protic solvents on the excited state proton transfer of 3-hydroxyflavone: A TD-DFT static and molecular dynamics study
Keywords: اثر حلال; Excited state proton transfer (ESPT); 3-Hydroxyflavone; B3LYP; TD-DFT; Solvent effect;
Effect of PbI2 solution on air-preparation of perovskite solar cells for enhanced performance
Keywords: اثر حلال; Perovskite solar cell; Solvent effect; ACN additive; Porous PbI2 adduct; Grain size;
Conformational analysis of some 4â²-substituted 2-(phenylselanyl)- 2-(methoxy)- acetophenones
Keywords: اثر حلال; Conformational analysis; Infrared spectroscopy; Theoretical calculations; Solvent effect; X-ray diffraction; 4â²-substituted 2-(phenylselanyl)-2-(methoxy)-acetophenones;
Equilibrium solubility and preferential solvation of 1,1â²-sulfonylbis(4-aminobenzene) in binary aqueous solutions of n-propanol, isopropanol and 1,4-dioxane
Keywords: اثر حلال; Dapsone; Solubility; Solvent effect; Jouyban-Acree; Inverse Kirkwood-Buff integrals; Preferential solvation;
Spectroscopic and theoretical studies of some 2-(2â²-haloacetyl)-5-substituted: 1-Methylpyrrole, furan and thiophene
Keywords: اثر حلال; Infrared spectroscopy; Theoretical calculations; Solvent effect; Conformational analysis; 2-(2â²-haloacetyl)-5-substituted heteroaromatic compounds;
Theoretical prediction of chloroform, ethanol, water and DMSO effects on electronic characteristics of Capecitabine different conformers as an anticancer chemotherapy drug
Keywords: اثر حلال; Capecitabine; Solvent effect; Density functional theory; Breast cancer; Chemotherapy drug;
Solvent effect on isomerization reaction of [(η5-C5H5)(CO)2ReC(C2HB10H10)(C6H5)] carbene complex to [(η5-C5H5)(CO)(COC2HB10H10)ReCC6H5] carbyne complex: A computational investigation
Keywords: اثر حلال; Isomerization reaction; Carbene complexes; Carbyne complexes; Solvent effect; Thermodynamics; Rate constant;
Effect of solvent on the electronic absorption spectral properties of some mixed β-octasubstituted Zn(II)-tetraphenylporphyrins
Keywords: اثر حلال; Metalloporphyrins; Mixed β-octasubstituted Zn(II)-porphyrins; Solvent effect; Electronic absorption; Ligand binding; Equilibrium constants;
Solvent effect on electron transfer through alkanethiols
Keywords: اثر حلال; Long distance electron transfer; Surface-attached reactants; Rate constant; Reaction volume; Solvent effect;
Heterocyclic Schiff bases as non toxic antioxidants: Solvent effect, structure activity relationship and mechanism of action
Keywords: اثر حلال; Schiff base; Antioxidant activity; DPPH; ABTS; Solvent effect; Structure activity relationship;
A quantum chemical investigation of the influence of solvent polarity on the structural, electronic, spectroscopic properties and hyperpolarizability in Molybdenum Silylidyne complex CpMo(CO)2(SiPh)
Keywords: اثر حلال; Silylidyne complex; Solvent effect; 13C and 29Si NMR chemical shifts; Kirkwood-Bauer-Magat equation (KBM); Hyperpolarizability;
Conformational and electronic properties of hydroquinone adsorption on C60 fullerenes: Doping atom, solvent and basis set effects
Keywords: اثر حلال; Hydroquinone; Fullerene; DFT; Solvent effect; Basis set effect;
Dynamic first hyperpolarizability of trans- and cis-isomers of azobenzene chromophore DO3 calculated at DFT and MP2 levels
Keywords: اثر حلال; Azochromophore; First hyperpolarizability; Dynamic characteristics; Density functional theory; MP2; Solvent effect;
Synthesis, characterization and electrochemical investigations of azo dyes derived from 2-amino-6-ethoxybenzothiazole
Keywords: اثر حلال; 2-amino-6-ethoxybezothiazole; Azo dye; Solvent effect; Cyclic voltammetry; Glassy carbon electrode;
Theoretical NMR and conformational analysis of solvated oximes for organophosphates-inhibited acetylcholinesterase reactivation
Keywords: اثر حلال; Acetylcholinesterase; Oximes; Conformational analysis; DFT/B3LYP calculations; Solvent effect; NMR;
Binary mixtures of dimethyl sulfoxide with methanol, ethylene glycol, and glycerol as solvent: Solvatochromism and chemical kinetics study
Keywords: اثر حلال; Aromatic nucleophilic substitution; 1-Fluoro-2,4-dinitrobenzene; Solvatochromic parameters; Preferential solvation; Solvent effect;
Self-organized three dimensional architectures based on non-covalent interactions in square planar Cu(II) thiosemicarbazone: Solvent mediated crystallization and EPR based correlation study
Keywords: اثر حلال; Copper complexes; X-ray crystal structure; Solvent effect; Hydrogen bonding; Supramolecular structures; A||â¯ââ¯g|| correlation;
DFT studies on solvent dependence of electronic absorption spectra of free-base and protonated porphyrin
Keywords: اثر حلال; Porphyrin; FBP; Absorption; Solvent effect; DFT;
Microwave-assisted solid-phase synthesis of highly fluorescent carbon nanoparticles and its application in intracellular pH sensing
Keywords: اثر حلال; Solid-phase synthesis; Fluorescent pH sensor; Solvent effect; Carbon nanoparticles; Cell imaging;
D-A type sensor array for differentiation and identification of white wine varieties based on specific solvent effect activated by CT-LE transition
Keywords: اثر حلال; Sensor array; Wine identification; Solvent effect; Fingerprinting; Charge transfer;
Photophysical behavior of some thymol based schiff bases using absorption and fluorescence spectroscopy
Keywords: اثر حلال; Solvent effect; Dipole moment; Solvatochromism; Excited state; Stokes-shift; Molecular Orbitals; Molecular electrostatic potential;
FT-IR study and solvent-implicit and explicit effect on stepwise tautomerism of Guanylurea: M06-2X as a case of study
Keywords: اثر حلال; Guanylurea; Implicit; Explicit; Double proton transfer; M06-2X; Solvent effect;
Zn-doped SiO2 nanoparticles preparation and characterization under the effect of various solvents: Antibacterial, antifungal and photocatlytic performance evaluation
Keywords: اثر حلال; Doping; Nanoparticles; Solvent effect; Antibacterial; Antifungal; Photocatalytic activity; Disc diffusion method;
The NMR 'split peak effect' in cell suspensions: Historical perspective, explanation and applications
Keywords: اثر حلال; 1H, 13C, 19F, 31P, 133Cs NMR; Red blood cells; Erythrocytes; Hydrogen bond; Magnetic susceptibility; Solvent effect;