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Mechanistic details for the reaction of methyl acrylate radical anion: a DFT study
DFT Ab initio and FT-IR studies of the structure of sulfonamide Triazenes
DFT Ab initio and FT-IR studies of the structure of sulfonamide Triazenes
A DFT study of inter- and intramolecular proton transfer in 2-selenobarbituric acid tautomers
Selective complexation of alkali metal ions and nanotubular cylopeptides a DFT study
Monomer and dimer structures of N N dibenzyledeneethylenediamine derivatives DFT NBO and MO studies
Monomer and dimer structures of N N dibenzyledeneethylenediamine derivatives DFT NBO and MO studies
Copper zirconium phosphate as an efficient catalyst for acetylation of phenols
Effects of cross-linking and acetylation on oat starch properties
Effects of cross-linking and acetylation on oat starch properties
Determination of glucosamine and N-acetyl glucosamine in fungal cell walls
Nanoscale surface study and reactions mechanism of 2-butanol over the gama-alumina (1 0 0) surface and nanochannel A DFT study
Theoretical study of the electronic structure of the complexes of gold, silver, and copper mono- and bimetallic nanoclusters decorated on graphitic carbon nitride (g-C3N4): DFT and TD-DFT studies of photocatalytic activity
Theoretical study of the electronic structure of the complexes of gold, silver, and copper mono- and bimetallic nanoclusters decorated on graphitic carbon nitride (g-C3N4): DFT and TD-DFT studies of photocatalytic activity
Study and Design Experiences
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