Rasulev Research Group

Welcome to the Computational Chemistry and Cheminformatics Group

Congrats to Dmitri Kilin and Yulun Han!

Many thanks to Dmitri Kilin and Yulun Han for the great collaborative paper, congratulations!

The paper is published in the J. Phys. Chem. Lett. – one of the top physical chemistry journals with impact factor 9.4!

Y Han, B Rasulev, DS Kilin,  Photofragmentation of Tetranitromethane: Spin-Unrestricted Time-Dependent Excited-State Molecular Dynamics, The Journal of Physical Chemistry Letters, 20178 (14), pp 3185–3192

Link – pubs.acs.org