Ab-initio study of initial atmospheric oxidation reactions of C3 and C4 alkanes. - Isidoro García-Cruz; M. E. Ruiz-Santoyo; J. Raúl Alvarez-Idaboy; Annik Vivier Bunge (J. Comput. Chem., 1999)

DFT and MP2 molecular orbital determination of OH-toluene-O2 isomeric structures in the atmospheric oxidation of toluene. - Isidoro García-Cruz; Miguel Castro; Annik Vivier Bunge (J. Comput. Chem., 2000)