Bridging the gap: combining the QM/MM and QTAIM in search of dominating interactions in biological systems

Источник
Third International School-Seminar “From Empirical to Predictive Chemistry” (April 5-7, 2018, Kazan, Russia): book of abstracts / ed. T.I. Madzhidov, V.A. Afonina, I.S. Antipin