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Theoretical study of methyl-3-(2 4 6-trimethoxy benzoile)-2 -hydroxy-4 6 -dimethoxy benzoate (1) and isomer 2 as anti-tumour compounds
Water-vapochromic behavior of a mononuclear Pd(II) complex of piroxicam: A DFT and TD-DFT study
Water-vapochromic behavior of a mononuclear Pd(II) complex of piroxicam: A DFT and TD-DFT study
The adsorption of small size Pd clusters on a g-C3N4 quantum dot DFT and TD-DFT study
The adsorption of small size Pd clusters on a g-C3N4 quantum dot DFT and TD-DFT study
Alumina-supported cobalt, nickel, and copper single-atom catalysts for CO to CO2 conversion; A comparative DFT study
A DFT study of formaldehyde adsorption on functionalized graphene nanoribbons
Links 2
mechanistic studies
The regioselectivity in the gold-catalyzed cycloisomerization of alcohols: a full DFT study on carbene versus non-carbene mechanisms
A mechanistic study of the electrochemical reaction between nitrostyrene and benzaldehyde: DFT calculations on all possible routes and intermediates
The regioselectivity in the gold-catalyzed cycloisomerization of alcohols: A full DFT study on carbene versus non-carbene mechanisms
Aerobic Cultivation of Different Rice Varieties Using Surface and Subsurface Drip Irrigation Systems (Case Study: Isfahan)
Numerical and experimental study of the hydrodynamic coefficients and power absorption of a two-body point absorber wave energy converter
Azam Cherghi