Search RiuNet

Browse

Now showing items 1-2 of 2

A Comparative Analysis of the Electrophilicity of Organic Molecules between the Computed IPs and EAs and the HOMO and LUMO energies

Domingo, Luis R.; Sáez Cases, José Antonio; Perez, Patricia (Elsevier, 2007-04-20)

[EN] The electrophilicity index, omega, of a series of substituted ethylenes used in some relevant organic reactions has been evaluated from the ionization potential JP) and the electron affinity (EA) computed by vertical ...
Understanding the regioselectivity in hetero Diels-Alder reactions. An ELF analysis of the reaction between nitrosoethylene and 1-vinylpyrrolidine

Domingo, Luis R.; Pérez, Patricia; Sáez-Cases, José Antonio (Elsevier, 2013-01-07)

[EN] The regioselectivity in the hetero Diels-Alder reaction between nitrosoethylene 1 and 1-vinylpyrrolidine 2 has been studied by a comparative ELF bonding analysis along the IRC of the endo/ortho and endo/meta regioisomeric ...

Now showing items 1-2 of 2