PBAT is biodegradable but what about the toxicity of its biodegradation products?
Ana MartínezEmiliano Perez-SanchezAlexis CaballeroRodrigo RamírezEsperanza QuevedoDiana Salvador-García
Published in: Journal of molecular modeling (2024)
All DFT computations were performed using the Gaussian16 at M062x/6-311 + g(2d,p) level of theory without symmetry constraints. Electro-donating (ω-) and electro-accepting (ω +) powers were used as response functions.