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Publications (10)
- A DFT study on structure, stabilities and electronic properties of double magnesium doped gold clusters Save
- Catalytic Activity of Anionic Au-Ag Dimer for Nitric Oxide Oxidation: A DFT Study Save
- Catalytic oxidation of NO by Au2 - dimers: A DFT study Save
- DFT and QTAIM studies on structure and stability of beryllium doped gold clusters Save
- Density functional study on structures, stabilities, and electronic properties of size-selected pdnSIq (n = 1-7 and q = 0, +1, -1) clusters Save
- Theoretical investigation of atmospheric chemistry of volatile anaesthetic sevoflurane: Reactions with the OH radicals and atmospheric fate of the alkoxy radical (CF3)2CHOCHFO: Thermal decomposition vs. oxidation Save
- Theoretical investigation on unimolecular decomposition of malonic acid: A potential sink for ketene Save
- Mechanistic and kinetics study of the gas phase reactions of methyltrifluoroacetate with OH radical and Cl atom Save
- Theoretical study on the kinetics and branching ratios of the gas phase reactions of 1, 1-Dichlorodimethylether (DCDME) with Cl atom Save
- Theoretical study on the kinetics and branching ratios of the gas phase reactions of 4,4,4-trifluorobutanal (TFB) with OH radical in the temperature range of 250-400 K and atmospheric pressure Save