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DFT NBO and NRT analysis of alkyl and benzyl B-silyl substituted cations Carbenium ion vs. silylium ion
Enantiomeric discrimination of leucine enantiomers by nanotubular cyclic peptides DFT and ONIOM calculation of the absorption spectra of guested enantiomers
Enantiomeric discrimination of leucine enantiomers by nanotubular cyclic peptides DFT and ONIOM calculation of the absorption spectra of guested enantiomers
Enantiomeric discrimination of leucine enantiomers by nanotubular cyclic peptides DFT and ONIOM calculation of the absorption spectra of guested enantiomers
DFT ab initio NMR and NBO analyses of Na-substituted hydrazino acetamides experimental VS theoretical values
A DFT screening of CH4 detection by (8,0) single-walled carbon nanotubes decorated with small tin oxide clusters
Mono-doped (X=S-2, Se-2, and Te-2) and co-doped (Zr4+-X)TiO2 monolayer nanosheet for water splitting: DFT modeling
DFT Investigation of Na/Na+(Fe3O4)n and Na/Na+(Fe2O3)n Nanoclusters: Mechanistic Insights into Na Thermal Ionization
زمينه‌هاي تحقيقاتي سرريز پلكاني
Preparation and Evaluation of Hydrogel Wound Dressings Containing Polyvinyl Alcohol, Chitosan, Flax, and Zinc Particles for Chronic Wound Healing
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Experiences dabbagh
حشره شناسي و دفع آفات (کارشناسی/ ترم اول سال تحصیلی)
Interaction of different types of nanocages (Al12N12, Al12P12, B12N12, Be12O12, Mg12O12, Si12C12 and C24 with HCN and ClCN DFT TD-DFT QTAIM and NBO calculations
Studies on androgenesis of rye