Are there reliable DFT approaches for 13C NMR chemical shift predictions of fullerene C60 derivatives? AR Tulyabaev, II Kiryanov, IS Samigullin, LM Khalilov International Journal of Quantum Chemistry 117 (1), 7-14, 2017 | 14 | 2017 |
Prediction of 13C NMR chemical shifts by artificial neural network. I. Partial charge model as atomic descriptor II Kiryanov, FH Mukminov, AR Tulyabaev, LM Khalilov Chemometrics and Intelligent Laboratory Systems 152, 62-68, 2016 | 8 | 2016 |
Neural network for prediction of 13C NMR chemical shifts of fullerene C60 mono‐adducts LMK Ilya I. Kiryanov, Arthur R. Tulyabaev, Farit Kh. Mukminov Journal of Chemometrics, 2018 | 7 | 2018 |
MACHINE LEARNING IN STRUCTURE ELUCIDATION OF FULLERENE C60 MONO-ADDUCTS II Kiryanov, PI Beloborodov, LM Khalilov Информационные технологии. Проблемы и решения: Материалы Международной …, 2018 | | 2018 |