TY  - JOUR 
AU  - Mojica, Martha
AU  - Méndez, Francisco
AU  - Alonso Martín, Julio Alfonso
PY  - 2016
UR  - https://uvadoc.uva.es/handle/10324/57376
AB  - The Diels-Alder (DA) reaction provides an attractive route to increase the number of six member rings in substituted Polycyclic Aromatic Hydrocarbons (PAHs). The density functional theory (DFT) B3LYP method has been used in this work to inquire if the...
LA  - eng
PB  - MDPI
KW  - Diels-Alder
KW  - DFT
KW  - Polycyclic Aromatic Hydrocarbons (PAHs)
TI  - The diels-alder cycloaddition reaction of substituted hemifullerenes with 1,3-butadiene: Effect of electron-donating and electron-withdrawing substituents
DO  - 10.3390/molecules21020200
ER  -