Keywords: مطالعات شیمی کوانتومی; 5-Flucytosine; Fluconazole; Antifungal; Molecular modeling; Quantum chemical studies; DNA;
مقالات ISI مطالعات شیمی کوانتومی (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
Keywords: مطالعات شیمی کوانتومی; Synthesis; Molecular docking; MTT-assay; Quantum chemical studies;
Quantum molecular modeling of hepatitis C virus inhibition through non-structural protein 5B polymerase receptor binding of C5-arylidene rhodanines
Keywords: مطالعات شیمی کوانتومی; HCV; NS5B polymerase; C5-Arylidene rhodanine; Quantum chemical studies; Molecular docking; Isomers of dichloro substituted rhodanines;
Synthesis, spectral analysis and quantum chemical studies on molecular geometry, chemical reactivity of 7-chloro-9-(2â²-chlorophenyl)-2,3-dihydroacridin-4(1H)-one and 7-chloro-9-(2â²-fluorophenyl)-2,3-dihydroacridin-4(1H)-one
Keywords: مطالعات شیمی کوانتومی; 7-Chloro-9-(2'-chlorophenyl)-2,3-dihydroacridin-4(1H)-one; 7-Chloro-9-(2'-fluorophenyl)-2,3-dihydroacridin-4(1H)-one; Spectral analysis; Quantum Chemical studies;
Synthesis, characterization, cytotoxicity, cell cycle analysis of 3-(4-methoxyphenyl)-1-(pyridin-2-ylmethyl)thiourea and quantum chemical analyses
Keywords: مطالعات شیمی کوانتومی; Cytotoxicity; Cell cycle analysis; DNA binding and molecular docking; Quantum chemical studies;
Multi-targeting exploration of new 2-aminothiazolyl quinolones: Synthesis, antimicrobial evaluation, interaction with DNA, combination with topoisomerase IV and penetrability into cells
Keywords: مطالعات شیمی کوانتومی; Aminothiazole; Quinolone; Antibacterial; Antifungal; Molecular modeling; Quantum chemical studies;
Theoretical and experimental studies on the corrosion inhibition potentials of some purines for aluminum in 0.1 M HCl
Keywords: مطالعات شیمی کوانتومی; Corrosion; Inhibition; Purines; Quantum chemical studies
A novel azo-aldehyde and its Ni(II) chelate; synthesis, characterization, crystal structure and computational studies of 2-hydroxy-5-{(E)-[4-(propan-2-yl)phenyl]diazenyl}benzaldehyde
Keywords: مطالعات شیمی کوانتومی; Azo-aldehyde; Ni(II) chelate; X-ray diffraction; Solvent effect; π–π Interactions; Quantum chemical studies
Design, synthesis, quantum chemical studies and biological activity evaluation of pyrazole-benzimidazole derivatives as potent Aurora A/B kinase inhibitors
Keywords: مطالعات شیمی کوانتومی; Pyrazole-benzimidazole derivatives; Aurora A/B kinase; Molecular modeling; Quantum chemical studies;
Quantum chemical studies and dyeing performance of some novel benzoquinoline based heterocyclic monoazo dyes on polyester fiber
Keywords: مطالعات شیمی کوانتومی; 1H-benzo[g]pyrazolo[3,4-b]quinoline-3-ylamine; Phenyl pyrazolone; Colorimetric data; Exhaustion-fixation; Fastness properties; Quantum chemical studies
A computational approach towards predicting Ï-facial selectivity in sterically unbiased olefins: an evaluation of the relative importance of electrostatic and orbital effects
Keywords: مطالعات شیمی کوانتومی; Ï-facial selectivity; Sterically unbiased alkenes; Electrophiles; Quantum chemical studies; Electrostatic effect;
Quantum chemical studies of the reaction of selenium dichloride with divinyl sulfide and comparison with experimental results
Keywords: مطالعات شیمی کوانتومی; Divinyl sulfide; Quantum chemical studies; Selenium dichloride; 1,4-Thiaselenane; 1,3-Thiaselenolane; 1,3-Thiaselenole
Fluconazole as an inhibitor for aluminium corrosion in 0.1 M HCl
Keywords: مطالعات شیمی کوانتومی; Fluconazole; Aluminium; Corrosion inhibition; Adsorption isotherm; Quantum chemical studies; Austin Model 1 (AM1)
A quantum chemical study on structure of cocrystal of triphenylphosphine oxide and hydroquinone
Keywords: مطالعات شیمی کوانتومی; Hydrogen bonding; Cocrystal; X-ray diffraction; Quantum chemical studies; Semi-empirical methods; van der Waals forces;
A quantum chemical study on structures of (+)-(R)-2,2-bis(diphenylphosphinoyl)-1,1â²-binaphthyl and its hydroquinone complex
Keywords: مطالعات شیمی کوانتومی; Hydrogen bonding; Cocrystal; X-ray diffraction; Quantum chemical studies; Semi-empirical methods; (+)-(R)-2,2-bis(diphenylphosphinoyl)-1,1â²-binaphthyl;
A quantum chemical study on structure of 1,2-Bis(diphenylphosphinoyl)ethane and hydroquinone cocrystal
Keywords: مطالعات شیمی کوانتومی; Hydrogen bonding; Cocrystal; X-ray diffraction; Quantum chemical studies; Semi-empirical methods; van der Waals forces;
Quantum chemical studies on some potentially tautomeric oxazolidin-4-one derivatives and their thio and azo anologs
Keywords: مطالعات شیمی کوانتومی; Oxazolidin-4-one derivatives; Quantum chemical studies; Protonation patterns; Ring-chain tautomerism; Azo anologs; Thio anologs; Izomerizm azo protonation; Oxo protonation; Nucleophilicity;