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B3LYP
6
"Alkylation of 2- and 3-alkoxycarbonyl-4-quinolinones. DFT study on the regioselectivity" (2017) Shmidt, M.S.;Arroyo Mañez, P.;Stortz, C.A. (...)Blanco, M.M. Journal of Molecular Structure. 1128:142-150
"Alkylation of 2- and 3-alkoxycarbonyl-4-quinolinones. DFT study on the regioselectivity" (2017) Shmidt, M.S.;Arroyo Mañez, P.;Stortz, C.A. (...)Blanco, M.M. Journal of Molecular Structure. 1128:142-150
"Energetics of neutral and deprotonated (Z)-cinnamic acid" (2016) Dávalos, J.Z.;Lima, C.F.R.A.C.;Silva, A.M.S. (...)Salum, M.L. Journal of Chemical Thermodynamics. 95:195-201
"Energetics of neutral and deprotonated (Z)-cinnamic acid" (2016) Dávalos, J.Z.;Lima, C.F.R.A.C.;Silva, A.M.S. (...)Salum, M.L. Journal of Chemical Thermodynamics. 95:195-201
"Non-empirical calculations of NMR indirect carbon-carbon coupling constants: 1. Three-membered rings" (2002) Krivdin, L.B.; Sauer, S.P.A.; Peralta, J.E.; Contreras, R.H. Magnetic Resonance in Chemistry. 40(3):187-194
"Structure and spin-state energetics of an iron porphyrin model: An assessment of theoretical methods" (2002) Scherlis, D.A.; Estrin, D.A. International Journal of Quantum Chemistry. 87(3):158-166