@article{paperid:1043059, author = {Sabet-Sarvestani, Hossein and Eshghi, Hossein and Bakavoli, Mehdi and Izadyar, Mohammad and Rahimizadeh, Mohammad}, title = {Theoretical investigation of the chemoselectivity and synchronously pyrazole ring formation mechanism from ethoxymethylenemalononitrile and hydrazine hydrate in the gas and solvent phases: DFT, meta-GGA studies and NBO analysis}, journal = {RSC Advances}, year = {2014}, volume = {4}, number = {4}, month = {September}, issn = {2046-2069}, pages = {43485--43495}, numpages = {10}, keywords = {Chemoselectivity; DFT; Mechanism; Natural bond orbital}, }