Title: Efficient way of designing fullerene derivatives based on simplified DFT calculations and QSPR modeling
Authors: Celina Sikorska, Agnieszka Gajewicz, Piotr Urbaszek, Łukasz Lubiński, Tomasz Puzyn
Journal: Chemometrics and Intelligent Laboratory Systems
Publication type: article
DOI: 10.1016/j.chemolab.2016.02.003