281. G. Giudetti, I. Polyakov, B. L. Grigorenko, S. Faraji, A. V. Nemukhin, and A.I. Krylov
How reproducible are QM/MM simulations? Lessons from computational studies of the covalent inhibition of the SARS-CoV-2 main protease by carmofur
J. Chem. Theo. Comp. , submitted (2022) Abstract  Preprint

280. A.I. Krylov
Social Justice Warriors subvert scientific publishing
A chapter in "Ben ik wel woke genoeg?", edited by Martin Harlaar and published by Gompel and Svacina , 223 – 230 (2022) Abstract  PDF 

279. S. Kotaru, M. Alessio, S. Kaehler, and A.I. Krylov
Magnetic exchange interactions in binuclear and tetranuclear iron (III) complexes described by spin-flip DFT and Heisenberg effective Hamiltonians
J. Comp. Chem. , in press (2022) Abstract  Preprint

278. A.I. Krylov, J.S. Tanzman, G. Frenking, and P.M.W. Gill
Scientists must resist cancel culture
Nachrichten aus der Chemie  70, 12 – 14 (2022) Abstract  Full text 

277. F. Plasser, A.I. Krylov, and A. Dreuw
libwfa: Wavefunction analysis tools for excited and open-shell electronic states
WIRES Comp. Mol. Sci. , e1595 (2022) Abstract  PDF 

276. A.I. Krylov, G. Frenking, and P.M.W. Gill
Royal Society of Chemistry provides guidelines for censorship to its editors
Chemistry International  44, 32 – 34 (2022) Abstract  Full text 

275. J. A. Andersen, K. D. Nanda, A. I. Krylov, and S. Coriani
Probing molecular chirality of ground and electronically excited states in the UV–vis and X-ray regimes: An EOM-CCSD study
J. Chem. Theo. Comp.  18, 1748 – 1764 (2022) Abstract  PDF Supporting info

274. S. Gozem and A. I. Krylov
The ezSpectra suite: An easy-to-use toolkit for spectroscopy modeling
WIRES Comp. Mol. Sci.  12, e1546 (2022) Abstract  PDF