Mina Ghiasi
Department of chemistry, Faculty of science, Alzahra University, 19835-389, Vanak, Tehran, Iran.
[ 1 ] - Gas contaminants capturing by gamma-carbonic anhydrase catalyst: A quantum chemical approach
In this paper, we used quantum chemical approach to shed light on the catalytic mechanism of γ-carbonic anhydrase (γ-CA) to convert carbon dioxide to bicarbonate ion. Density functional theory (DFT) using B3LYP and UB3LYP functional and three split-valance including 6-31G*, 6-311G** and 6-311++G** basis sets were used to calculate the details of electronic structure and electronic energy of act...
[ 2 ] - Gas contaminants capturing by gamma-carbonic anhydrase catalyst: A quantum chemical approach
In this paper, we used quantum chemical approach to shed light on the catalytic mechanism of γ-carbonic anhydrase (γ-CA) to convert carbon dioxide to bicarbonate ion. Density functional theory (DFT) using B3LYP and UB3LYP functional and three split-valance including 6-31G*, 6-311G** and 6-311++G** basis sets were used to calculate the details of electronic structure and electronic energy of act...
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