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DFT study on the different oligomers of Glycerol n 1-4 in gas and aqueous phases
DFT and MP2 study of simple and water-assisted tautomerism in amidrazones
DFT Study of Kinetic and Thermodynamic Parameters of Tautomerism in 4-acyl Pyrazolone
Synthesis and DFT studies of 1-Amino-5-thiol tetrazole as corrosion inhibitors
DFT study of rate and equilibrium constants in tautomerism of organic structures
DFT Study of the Possible Mechanisms for Synthesizing α-Cyanophosphonates from β-Nitrostyrenes
DFT Study of the Possible Mechanisms for Synthesizing a-Cyanophosphonates from B-Nitrostyrenes
Evaluating electromagnetic pollution level of Irancell BTS antennas in different locations (Shahinshahr city study)
Effect of hydration on the stability and tautomerisms of different isomers of uracil
Case Studies
Comparative DFT, NBO, and AIM studies on the sensing and adsorption abilities of simple and doped graphene nanosheets for phosphine gas
Marzieh Esmaeilzadeh Khabazi
Nazanin Orash
DFT Study on Corrosion Inhibition by Tetrazole Derivatives: Investigation of the Substitution Effect
A DFT Study on the Interaction of Doped Carbon Nanotubes with H2S, SO2 and Thiophene