An efficient synthesis of thiazines from the three component reactions between dialkyl acetylenedicarboxylates, arylisothio- cyanates and N-nucleophiles at room temperature in water as the solvent is described.
Nitrous oxide adsorption on the pristine （6,0） magnesium oxide nanotube was studied by using density functional theory calculations. We present the nature of the N2O interaction in selected sites of the nanotube. Ad...Nitrous oxide adsorption on the pristine （6,0） magnesium oxide nanotube was studied by using density functional theory calculations. We present the nature of the N2O interaction in selected sites of the nanotube. Adsorption energies corresponding to adsorption of the N2O on the nanotube were calculated to be in the range - 11.67 to -22.21 kJ mol- 1. Our results indicate that the N2O molecule has a weak physical adsorption on the pristine models due to weak Van der Waals interaction between the nanotubes and N2O molecule. The important results can be useful in production of the N2O sensors.展开更多
文摘An efficient synthesis of thiazines from the three component reactions between dialkyl acetylenedicarboxylates, arylisothio- cyanates and N-nucleophiles at room temperature in water as the solvent is described.
文摘Nitrous oxide adsorption on the pristine （6,0） magnesium oxide nanotube was studied by using density functional theory calculations. We present the nature of the N2O interaction in selected sites of the nanotube. Adsorption energies corresponding to adsorption of the N2O on the nanotube were calculated to be in the range - 11.67 to -22.21 kJ mol- 1. Our results indicate that the N2O molecule has a weak physical adsorption on the pristine models due to weak Van der Waals interaction between the nanotubes and N2O molecule. The important results can be useful in production of the N2O sensors.
