دانلود مقالات ISI درباره اثر حلال + ترجمه فارسی

Molecular structure, X-ray crystallography, spectroscopic characterization, solvent effect, NLO, NBO, FMO analysis of [Cu(bpabza)] complexe

Keywords: اثر حلال; X-ray crystallography; Solvent effect; UV; NMR; FT IR; Donor-acceptor interactions; FMO analysis;

دانلود رایگان متن کامل مقاله ISI 35 صفحه سال انتشار : 2018 سفارش ترجمه

Solubility modelling, solvent effect and preferential solvation of 6-chloropurine in several aqueous co-solvent mixtures between 283.15 K and 328.15 K

Keywords: اثر حلال; 6-Chloropurine; Solubility; Jouyban-Acree; Inverse Kirkwood-Buff integrals; Solvent effect; Preferential solvation;

دانلود رایگان متن کامل مقاله ISI 40 صفحه سال انتشار : 2018 سفارش ترجمه

Recent theoretical progress in the organic/metal-organic sensitizers as the free dyes, dye/TiO2 and dye/electrolyte systems; Structural modifications and solvent effects on their performance

Keywords: اثر حلال; DSSC; dye-sensitized solar cells; LUMO; lowest unoccupied molecular orbital; HOMO; highest occupied molecular orbital; FF; fill factor; VOC; open circuit voltage; JSC; short-circuit photocurrent density; ΔGinj; free energy change of electron injection; Î

دانلود رایگان متن کامل مقاله ISI 47 صفحه سال انتشار : 2018 سفارش ترجمه

Luminescence of Au(I)-thiolate complex affected by solvent

Keywords: اثر حلال; Fluorescence; Au(I)-thiolate complex; Solvent effect; Aggregation; Supramolecular structures; Aurophilic interactions;

دانلود رایگان متن کامل مقاله ISI 4 صفحه سال انتشار : 2017 سفارش ترجمه

Kinetics and thermodynamics of oxidation mediated reaction in l-cysteine and its methyl and ethyl esters in dimethyl sulfoxide-d6 by NMR spectroscopy

Keywords: اثر حلال; NMR; 1H; 13C; Oxidation; Kinetics; Solvent effect; l-cysteine. l-Cysteine methyl ester (L-CysME) and l-Cysteine ethyl ester (L-CysEE); Short title;

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2017 سفارش ترجمه

Solvent effect on the fixation of CO2 catalyzed by quaternary ammonium-based ionic liquids bearing different numbers of hydroxyl groups: A combined molecular dynamics simulation and ONIOM study

Keywords: اثر حلال; Quaternary ammonium-based ionic liquid; ONIOM; Hydrogen bond; Molecular dynamics; Solvent effect;

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2017 سفارش ترجمه

Theoretical study on ESIPT mechanism of 2-acetylindan-1,3-dione in hexane and acetonitrile solvents

Keywords: اثر حلال; ESIPT; Solvent effect; IR vibrational spectra; MOs; Potential energy curves;

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2017 سفارش ترجمه

Triplet excitation dynamics of β-carotene studied in three solvents by ns flash photolysis spectroscopy

Keywords: اثر حلال; β-Carotene; Triplet excitation dynamics; Solvent effect; ns Flash photolysis;

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2017 سفارش ترجمه

Non-covalent interaction between Cu-phthalocyanine and methanato borondifluoride derivatives in two different medium

Keywords: اثر حلال; Copper phthalocyanine; Methanato borondifluoride; Isosbestic formation; Solvent effect; DFT;

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2017 سفارش ترجمه

Theoretical study on the aminolysis of p-substituted phenyl acetates with dimeric ammonia in vacuo and acetonitrile

Keywords: اثر حلال; Aminolysis; Phenyl acetate; Substituent effect; Solvent effect; CPCM;

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2017 سفارش ترجمه

In situ X-ray absorption spectroscopic studies of magnetic Fe@FexOy/Pd nanoparticle catalysts for hydrogenation reactions

Keywords: اثر حلال; Fe@FexOy/Pd nanoparticles; in situ XANES study; Hydrogenation reactions; Solvent effect;

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2017 سفارش ترجمه

NICS values in gas phase, implicit solvents and micro-solvated systems

Keywords: اثر حلال; Solvent effect; Micro-solvation; NICS index; Hydroquinone; Aromaticity;

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2017 سفارش ترجمه

Novel environment-sensitive 8-CF3-BODIPY dye with 4-(dimethylamino)phenyl group at the 3-position: Synthesis and optical properties

Keywords: اثر حلال; AminoPhenyl-BODIPY dyes; Photophysical properties; Intramolecular charge transfer; Solvent effect; pH effect; “On-off” sensor;

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2017 سفارش ترجمه

The ab initio study and NBO interpretation of solvent effects on the structural stability and the chemical reactivity of penicillin-V conformations

Keywords: اثر حلال; Penicillin-V conformations; β-Lactam ring; Solvent effect; NBO interpretation;

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2017 سفارش ترجمه

Solvent effect over the promoter addition for a supported NiWS hydrotreating catalyst

Keywords: اثر حلال; NiWS; Nickel acetylacetonate; 4,6-Dimethyldibenzothiophene; Solvent effect; HDS;

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2017 سفارش ترجمه

Factors influencing the activity of SiO2 supported bimetal Pd-Ni catalyst for hydrogenation of α-angelica lactone: Oxidation state, particle size, and solvents

Keywords: اثر حلال; Palladium; Nickel; Particle size effect; α-Angelica lactone; γ-Valerolactone; Solvent effect;

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2017 سفارش ترجمه

Studies the effects of ultrasonic irradiation and dielectric constants of solvents on formation of lead(II) supramolecular polymer; new precursors for synthesis of lead(II) oxide nanoparticles

Keywords: اثر حلال; Supramolecular polymer; Lead(II); Sonochemical; Solvent effect; Dielectric constants; Nanoparticles;

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2017 سفارش ترجمه

Enhance the fluorescence and singlet oxygen generation ability of BODIPY: Modification on the meso-phenyl unit with electron withdrawing groups

Keywords: اثر حلال; BODIPY; Singlet oxygen; Fluorescence; Solvent effect; Electron transfer; Phenyl substitution;

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2017 سفارش ترجمه

Solvent effect on the kinetics of lithium ion intercalation into LiCoO2

Keywords: اثر حلال; solvent effect; lithium-ion intercalation; ion transfer; impedance spectroscopy; PITT;

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2017 سفارش ترجمه

Liquid and solid-state study of antioxidant quercetin donor and TCNE acceptor interaction: Focusing on solvent affect on the morphological properties

Keywords: اثر حلال; Quercetin; TCNE; CT complex; Solvent effect; Nanoparticles;

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2017 سفارش ترجمه

Adsorption and activation of CO and H2, the corresponding equilibrium phase diagrams under different temperature and partial pressures over Cu(100) surface: Insights into the effects of coverage and solvent effect

Keywords: اثر حلال; Cu(100) surface; CO; H2; Adsorption; Surface coverage; Solvent effect;

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2017 سفارش ترجمه

Decisive effects of solvent and substituent on the reactivity of Ru-catalyzed hydrogenation of ethyl benzoate to benzyl alcohol and ethanol: A DFT study

Keywords: اثر حلال; Solvent effect; Substituent effect; Hydrogenation; Carbonyl insertion mechanism; Stepwise double-hydrogen-transfer mechanism;

دانلود رایگان متن کامل مقاله ISI 13 صفحه سال انتشار : 2017 سفارش ترجمه

Hyperfine coupling constants of β-phosphorylated nitroxides: Subtle interplay between steric strain, hyperconjugation, and dipole-dipole interactions

Keywords: اثر حلال; Nitroxides; Solvent effect; EPR spectroscopy; Multi-parameter analysis;

دانلود رایگان متن کامل مقاله ISI 14 صفحه سال انتشار : 2017 سفارش ترجمه

Nonadiabatic ab initio molecular dynamics with PME-ONIOM scheme of photoisomerization reaction between 1,3-cyclohexadiene and 1,3,5-cis-hexatriene in solution phase

Keywords: اثر حلال; Ab initio molecular dynamics in solution phase; Solvent effect; Photochromic molecule; Particle-mesh Ewald summation method and ONIOM (PME-ONIOM) scheme; Zhu-Nakamura version trajectory surface hopping (ZN-TSH);

دانلود رایگان متن کامل مقاله ISI 15 صفحه سال انتشار : 2017 سفارش ترجمه

Stereochemical and electronic interaction studies of 4′-substituted 2-(phenylselanyl)-2-(ethylsulfinyl)-acetophenones

Keywords: اثر حلال; Stereochemical isomerism; Infrared spectroscopy; Theoretical calculations; Solvent effect; X-ray diffraction; 4′-substituted 2-(phenylselanyl)-2-(ethylsulfinyl)-acetophenones;

دانلود رایگان متن کامل مقاله ISI 17 صفحه سال انتشار : 2017 سفارش ترجمه

Structural analysis, solvent effects and intramolecular interactions in rilpivirine: A new non-nucleoside reverse transcriptase inhibitor for HIV treatment

Keywords: اثر حلال; Rilpivirine; Conformer; Solvent effect; Intramolecular hydrogen bonding; DFT;

دانلود رایگان متن کامل مقاله ISI 18 صفحه سال انتشار : 2017 سفارش ترجمه

Theoretical prediction on CO insertion reactions through the anionic complex [ClMg(η2-O2C]− as a catalyst

Keywords: اثر حلال; Carbene character; CO insertion reaction; CC bond formation; Reaction mechanism; Solvent effect;

دانلود رایگان متن کامل مقاله ISI 20 صفحه سال انتشار : 2017 سفارش ترجمه

The effects of altering reaction conditions in green sonochemical synthesis of a thallium(I) coordination polymer and in achieving to different morphologies of thallium(III) oxide nanostructures via solid-state process

Keywords: اثر حلال; Sonochemical; Solvent effect; Nanostructure; Coordination polymer; Thallium(III) oxide; Solid-state;

دانلود رایگان متن کامل مقاله ISI 21 صفحه سال انتشار : 2017 سفارش ترجمه

Synthesis of highly branched perfluoroolefins that are super-congested via multi-substitution of trifluoromethyl groups: Trifluoromethylation of hexafluoropropene trimers with Ruppert-Prakash reagent

Keywords: اثر حلال; persistent perfluoroalkyl radical; Hexafluoropropene trimers; Rotamer; Ruppert-Prakash reagent; Trifluoromethylation; Solvent effect; 1,3-Dimethylimidazolidinone;

دانلود رایگان متن کامل مقاله ISI 22 صفحه سال انتشار : 2017 سفارش ترجمه

TMPMgnBu(L), where L = THF, 2-MeTHF, pyridine and dimethylaminopyridine and TMP = 1,5,9-trimesityldipyrromethene: Reaction with lactide and ε-caprolactone

Keywords: اثر حلال; Polylactide; Caprolactone; Ring opening polymerization; Tacticity; Solvent effect;

دانلود رایگان متن کامل مقاله ISI 23 صفحه سال انتشار : 2017 سفارش ترجمه

Solvent- and temperature-controlled inversion of π-facial selectivity in the 1,2-cycloaddition of singlet oxygen to hydroxyphenyl-substituted cyclohexadihydrofurans

Keywords: اثر حلال; Singlet-oxygenation; 1,2-Cycloaddition of singlet oxygen; Stereoselectivity; Solvent effect; Temperature effect;

دانلود رایگان متن کامل مقاله ISI 25 صفحه سال انتشار : 2017 سفارش ترجمه

Effect of pre-aggregation in conjugated polymer solution on performance of diketopyrrolopyrrole-based organic field-effect transistors

Keywords: اثر حلال; Organic field-effect transistors; Solvent effect; Pre-aggregation; Polymer film alignment; Off-center spin coating;

دانلود رایگان متن کامل مقاله ISI 25 صفحه سال انتشار : 2017 سفارش ترجمه

Solvent dependent nuclearity of manganese complexes with a polydentate hydrazone-based ligand and thiocyanate anions

Keywords: اثر حلال; Manganese; Complex nuclearity; Crystal engineering; Self-assembly; Solvent effect;

دانلود رایگان متن کامل مقاله ISI 27 صفحه سال انتشار : 2017 سفارش ترجمه

Molecular dynamics and cluster-continuum insights on bulk alcohols effects on SN2 reactions of potassium and cesium fluorides with alkyl halides

Keywords: اثر حلال; GVDRZTXPNOKGOP-UHFFFAOYSA-N; UKDJSBJIGJWXFR-UHFFFAOYSA-N; UYYVMQPKNNYDMM-UHFFFAOYSA-N; Nucleophilic fluorination; Solvent effect; Supramolecular catalysis; Nucleophilic substitution;

دانلود رایگان متن کامل مقاله ISI 28 صفحه سال انتشار : 2017 سفارش ترجمه

Enhanced low-temperature NH3-SCR performance of MnOx/CeO2 catalysts by optimal solvent effect

Keywords: اثر حلال; MnOx/CeO2 catalysts; Solvent effect; Low-temperature NH3-SCR; Dispersion; Electron interaction;

دانلود رایگان متن کامل مقاله ISI 28 صفحه سال انتشار : 2017 سفارش ترجمه

Epoxidation of limonene over low coordination Ti in Ti- SBA-16

Keywords: اثر حلال; Titanium catalysts; Epoxidation; Limonene; Solvent effect;

دانلود رایگان متن کامل مقاله ISI 32 صفحه سال انتشار : 2017 سفارش ترجمه

DFT study on host-guest interaction in chitosan-amino acid complexes

Keywords: اثر حلال; Density functional theory; Hydrogen bonding; Chitosan; Amino acid; Interaction energy; Solvent effect;

دانلود رایگان متن کامل مقاله ISI 33 صفحه سال انتشار : 2017 سفارش ترجمه

Experimental and DFT studies of solvent effects on molecular structure and physical properties of Dipyridylamine pyridine based ligand

Keywords: اثر حلال; Solvent effect; Hydrogen bonds; Vibrational spectra; DFT; HOMO-LUMO energies; Thermochemistry;

دانلود رایگان متن کامل مقاله ISI 35 صفحه سال انتشار : 2017 سفارش ترجمه

Three new Salamo-type homotrinuclear nickel(II) complexes possessing solvent effects: Syntheses, structures and fluorescence properties

Keywords: اثر حلال; Salamo-type ligand; Ni(II) complex; Crystal structure; Fluorescence property; Solvent effect;

دانلود رایگان متن کامل مقاله ISI 36 صفحه سال انتشار : 2017 سفارش ترجمه

Antimycobacterial, antimicrobial activity, experimental (FT-IR, FT-Raman, NMR, UV-Vis, DSC) and DFT (transition state, chemical reactivity, NBO, NLO) studies on pyrrole-isonicotinyl hydrazone

Keywords: اثر حلال; Solvent effect; NMR spectroscopy; TD-DFT calculations; Vibrational analysis; Reactivity descriptors;

دانلود رایگان متن کامل مقاله ISI 40 صفحه سال انتشار : 2017 سفارش ترجمه

Solvatochromic analysis and DFT computational study of an azomaleimide derivative

Keywords: اثر حلال; Solvent effect; Azomaleimide; TD-DFT calculation; UV-vis absorption spectra; Catalan and Laurence parameters;

دانلود رایگان متن کامل مقاله ISI 44 صفحه سال انتشار : 2017 سفارش ترجمه

Evaluation of solvent and ion effects upon leflunomide adsorption characteristics on (6,0) zigzag single-walled carbon nanotube and immobilized dihydroorotate dehydrogenase activity: A computational DFT and experimental study

Keywords: اثر حلال; Doped SWCNTs; Drug adsorption; DFT method; Solvent effect; Experimental methods;

دانلود رایگان متن کامل مقاله ISI 44 صفحه سال انتشار : 2017 سفارش ترجمه

DFT and PCM-TD-DFT investigation of the electronic structures and spectra of 5-(3-phenyl-2-propenylidene)-2-thioxo-4-thiazolidinone derivatives

Keywords: اثر حلال; 2-Thioxo-4-thiazolidinones; Electronic absorption spectra; Substituent effect; PCM-TD-DFT; Solvent effect; Intramolecular charge transfer;

دانلود رایگان متن کامل مقاله ISI 44 صفحه سال انتشار : 2017 سفارش ترجمه

Experimental and theoretical study on the structure-property relationship of novel 1-aryl-3-methylsuccinimides

Keywords: اثر حلال; Succinimide; Absorption spectra; Solvent effect; Substituent effect; Quantum chemical calculation;

دانلود رایگان متن کامل مقاله ISI 49 صفحه سال انتشار : 2017 سفارش ترجمه

Synthesis by one-pot RAFT polymerization and properties of amphiphilic pentablock copolymers with repeating blocks of poly(2-hydroxyethyl methacrylate) and poly(butyl methacrylate)

Keywords: اثر حلال; RAFT polymerization; One-pot polymerization; Pentablock copolymers; Solvent effect; Self-assemblies;

دانلود رایگان متن کامل مقاله ISI 49 صفحه سال انتشار : 2017 سفارش ترجمه

5-Aryl-2-(2-hydroxyphenyl)furan-3-carbaldehyde: synthesis and study on its ring-chain tautomerism

Keywords: اثر حلال; 3-Alkynylchromone; 1-Benzopyran; Substituted furans; Ring-chain tautomerism; Solvent effect;

دانلود رایگان متن کامل مقاله ISI 4 صفحه سال انتشار : 2016 سفارش ترجمه

Optical constants, photo-stability and photo-degradation of MB/PMMA thin films for UV sensors

Keywords: اثر حلال; PMMA; Methylene blue; Solvent effect; UV sensor; Stability

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2016 سفارش ترجمه

Solvent and spin state effects on molecular structure, IR spectra, binding energies and quantum chemical reactivity indices of deferiprone–ferric complex: DFT study

Keywords: اثر حلال; Deferiprone–ferric complex; Solvent effect; Binding energy; Natural bond orbital; Reactivity indices

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2016 سفارش ترجمه

Quantum chemical study of tautomerism in 2-[(4-phenylthiazol-2-yl)hydrazonomethyl]phenol

Keywords: اثر حلال; Tautomerism; DFT; MP2; Proton transfer; Solvent effect;

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2016 سفارش ترجمه

Thermodynamic study of vitamin B6 antioxidant potential

Keywords: اثر حلال; Vitamin B6; DFT; Reaction enthalpy; Oxidation; Solvent effect;

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2016 سفارش ترجمه