Efficient way of designing fullerene derivatives based on simplified DFT calculations and QSPR modeling

Autor: Sikorska, Celina, Gajewicz, Agnieszka, Urbaszek, Piotr, Lubinski, Lukasz, Puzyn, Tomasz
Zdroj: In Chemometrics and Intelligent Laboratory Systems 15 March 2016 152:125-133
Databáze: ScienceDirect