Igor S. Gerasimov

The charge-assisted hydrogen-bonded organic framework (CAHOF) self-assembled from the conjugated acid of tetrakis(4-aminophenyl)methane and 2,6-naphthalenedisulfonate as a new class of recyclable Brønsted acid catalysts

Y. Nelyubina, M. North, S. Kuznetsova, 2020, Beilstein journal of organic chemistry.

Interplay between test sets and statistical procedures in ranking DFT methods: The case of electron density studies

J. Perdew, K. Lyssenko, A. Dmitrienko, 2018 .

Comment on “Pushing the frontiers of density functionals by solving the fractional electron problem”

I. S. Bushmarinov, P. Zhilyaev, M. Medvedev, 2022, Science.

Synthesis and TD-DFT investigation of arylhydrazonocyclopentadiene dyes

Yu. V. Tomilov, D. N. Platonov, M. Medvedev, 2019, Dyes and Pigments.

Introducing LibXC into GAMESS (US)

M. Gordon, F. Zahariev, S. S. Leang, 2021, Mendeleev Communications.

Chiral titanium(IV) and vanadium(V) salen complexes as catalysts for carbon dioxide and epoxide coupling reactions

M. North, Y. Belokon’, E. Khakina, 2021 .

Quantum Mechanical-Cluster Approach to Solve the Bioisosteric Replacement Problem in Drug Design

F. Novikov, A. Lisov, O. Stroganov, 2023, J. Chem. Inf. Model..

The role of human in the loop: lessons from D3R challenge 4

Oleg V Stroganov, Fedor N Novikov, Michael G Medvedev, 2020, Journal of Computer-Aided Molecular Design.