Keywords: الی; DFT; ALIE; RDF; BDE; NLO; Molecular docking;
مقالات ISI الی (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: الی; Benzofuran; SCXRD; RDF; BDE; ALIE; Charge transfer analysis.;
Keywords: الی; DFT; ALIE; RDF; BDE; Pyrazine; Molecular docking;
Keywords: الی; DFT; Imidazole; ALIE; RDF; Molecular docking;
Keywords: الی; DFT; Imidazole; ALIE; BDE; Molecular docking;
Keywords: الی; Benzoxazole; ALIE; RDF; BDE; Moleculardocking; Antibacterial activity;
Keywords: الی; DFT; Chalcones; XRD; ALIE; RDF; Molecular docking;
Keywords: الی; DFT; Benzimidazole; ALIE; RDF; BDE; Docking;
Keywords: الی; Benzoxazole; DFT; ALIE; BDE; Molecular docking;
Keywords: الی; DFT; ALIE; RDF; BDE; Quinazoline; Molecular docking;
Keywords: الی; Single crystal XRD; DFT; ALIE; RDF; Molecular docking;
Keywords: الی; DFT; Benzoxazole; ALIE; RDF; BDE; Docking;
Keywords: الی; DFT; Pyrimidine; ALIE; RDFs; Molecular dynamics; Molecular docking
Keywords: الی; DFT; FT-IR; FT-Raman; ALIE; BDE; RDF; Molecular docking
Keywords: الی; DFT; Quinoline; ALIE; BDE; Optoelectronics; Docking
Keywords: الی; Benzoxazole; DFT; Spectroscopy; ALIE; BDE; RDF;
Synthesis, spectroscopic characterization, reactive properties by DFT calculations, molecular dynamics simulations and biological evaluation of Schiff bases tethered 1,2,4-triazole and pyrazole rings
Keywords: الی; Schiff bases; DFT; Molecular dynamics; ALIE; α-Glucosidase inhibition; Antioxidant activity;
Synthesis, conformational, characterization and reactivity study of 1,7-bis(4-bromophenyl)heptane-1,7-dione
Keywords: الی; DFT; Hirshfeld surfaces; ALIE; RDF; Molecular docking;
Spectroscopic analysis of 8-hydroxyquinoline derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations
Keywords: الی; DFT; ALIE; RDF; BDE; Quinoline;
Spectroscopic characterization of 8-hydroxy-5-nitroquinoline and 5-chloro-8-hydroxy quinoline and investigation of its reactive properties by DFT calculations and molecular dynamics simulations
Keywords: الی; DFT; ALIE; RDF; BDE; Molecular docking;
Spectroscopic characterization of hydroxyquinoline derivatives with bromine and iodine atoms and theoretical investigation by DFT calculations, MD simulations and molecular docking studies
Keywords: الی; DFT; Quinoline; MD; Docking; ALIE; RDF;
Synthesis, spectroscopic analyses (FT-IR and NMR), vibrational study, chemical reactivity and molecular docking study and anti-tubercular activity of condensed oxadiazole and pyrazine derivatives
Keywords: الی; DFT; Oxadiazole; ALIE; RDF; Docking;
FT-IR and FT-Raman characterization and investigation of reactive properties of N-(3-iodo-4-methylphenyl)pyrazine-2-carboxamide by molecular dynamics simulations and DFT calculations
Keywords: الی; Pyrazine; Carboxamide; ALIE; BDE; RDF; Molecular docking;
Theoretical investigation on the reactivity and photophysical properties of cobalt(II) and manganese(II) complexes constructed using Schiff base ligands based on ALIE and TDDFT calculations
Keywords: الی; Schiff base; Metal complexes; Analytical techniques; ALIE; TDDFT calculations;
Investigation of reactive and spectroscopic properties of oxobutanoic acid derivative: Combined spectroscopic, DFT, MD and docking study
Keywords: الی; DFT; Oxobutanoic; ALIE; BDE; RDF; Molecular docking;
Synthesis, XRD single crystal structure analysis, vibrational spectral analysis, molecular dynamics and molecular docking studies of 2-(3-methoxy-4-hydroxyphenyl) benzothiazole
Keywords: الی; DFT; Thiazole; ALIE; RDF; BDE; Molecular docking;
Vibrational spectroscopic analysis of cyanopyrazine-2-carboxamide derivatives and investigation of their reactive properties by DFT calculations and molecular dynamics simulations
Keywords: الی; DFT; Carbomaxide; ALIE; RDF; BDE; Docking;
Spectroscopic analysis of 8-hydroxyquinoline-5-sulphonic acid and investigation of its reactive properties by DFT and molecular dynamics simulations
Keywords: الی; DFT; Quinoline; SERS; ALIE; RDF; Molecular docking;
Investigation of spectroscopic, reactive, transport and docking properties of 1-(3,4-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (ANF-6): Combined experimental and computational study
Keywords: الی; DFT; Thiourea; ALIE; BDE; RDF; Docking;
Spectroscopic characterization of 1-[3-(1H-imidazol-1-yl)propyl]-3-phenylthiourea and assessment of reactive and optoelectronic properties employing DFT calculations and molecular dynamics simulations
Keywords: الی; DFT; Thiourea; RDF; ALIE; Optoelectronics; Docking;
New quinolone derivative: Spectroscopic characterization and reactivity study by DFT and MD approaches
Keywords: الی; Quinoline; DFT; ALIE; RDF; BDE; Molecular docking;
Spectroscopic, DFT, molecular dynamics and molecular docking study of 1-butyl-2-(4-hydroxyphenyl)-4,5-dimethyl-imidazole 3-oxide
Keywords: الی; DFT; Imidazole; ALIE; BDE; MEP; Molecular docking;
Synthesis, crystal structure analysis, spectral investigations, DFTÂ computations and molecular dynamics and docking study of 4-benzyl-5-oxomorpholine-3-carbamide, a potential bioactive agent
Keywords: الی; Oxomorpholine; XRD; ALIE; RDF; BDE; Molecular docking;