quantum-chemical simulation of biological and carbon nanostructures; investigation of physical and chemical properties of the new materials used in the different fields: nanoelectronics; effective storage of molecular hydrogen for its further use as automobile fuel; creation of new kinds of solar cells systems; nonlinear optics.
Main publications:
Tatiana A. Romanova, Pavel O. Krasnov, “Ab initio and post-ab initio quantum chemical study of the heme spin states in electron transfer reactions”, Chemical Physics Letters, 420:4-6 (2006), 281–-285
Feng Ding, Yu Lin, Pavel O. Krasnov, Boris I. Yakobson, “Nanotube-derived carbon foam for hydrogen sorption”, The Journal of Chemical Physics, 127:16 (2007), 164703
Pavel O. Krasnov, Feng Ding, Abhishek K. Singh, Boris I. Yakobson, “Clustering of Sc on SWNT and Reduction of Hydrogen Uptake: Ab-Initio All-Electron Calculations”, The Journal of Physical Chemistry C (Letters), 111:49 (2007), 17977–17980
Pavel O. Krasnov, Yuliya M. Milyutina, Natalya S. Eliseeva, “The Nature of Absorption Electronic Spectrums of Porphyrin-Fullerene Dyads with a Different Type of Bonding”, Internet Electronic Journal of Molecular Design, 9:2 (2010), 20–32
Alexander A. Kuzubov, Tatyana A. Kojevnikova, Alexander S. Fedorov, Pavel O. Krasnov, Zaxar I. Popov, “Theoretical Investigation of Transition Metals Interaction with Silicon (001) Surface”, J. Sib. Fed. Univ. Math. Phys., 3:1 (2010), 125–132
Pavel O. Krasnov, Yuliya M. Milyutina, “Excited Electronic States of Porphyrin-Fullerene Dyads with Different Type of Bonding”, J. Sib. Fed. Univ. Math. Phys., 3:1 (2010), 78–87