Browsing by Author "b13ed955-f58e-473d-aa7f-fb9bbacef099"
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Giri, Santanab; Echegaray, Eleonora; Ayers, Paul W.; Núñez Vásquez, Álvaro; Lund Plantat, Fernando; Toro Labbé, Alejandro (American Chemical Society, 2012)The mechanism of a simple S N2 reaction, viz; OH - + CH 3F = CH 3OH + F - has been studied within the framework of reaction force and reaction electronic flux. We have computationally investigated three different types of ...
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Giri, Santanab; Inostroza-Rivera, Ricardo; Herrera, Bárbara; Núñez Vásquez, Álvaro; Lund Plantat, Fernando; Toro Labbé, Alejandro (Springer Verlag, 2014)© 2014, Springer-Verlag Berlin Heidelberg.The mechanism of Menshutkin reaction, NH3 + CH3Cl = [CH3–NH3]+ + Cl-, has been thoroughly studied in both gas and solvent (H2O and cyclohexane) phase. It has been found that solvents ...