Publications of Dmytro Bykov

Bykov, D.; Petrenko, T.; Izsák, R.; Kossmann, S.; Becker, U.; Valeev, E.; Neese, F.: Efficient implementation of the analytic second derivatives of Hartree–Fock and hybrid DFT energies: a detailed analysis of different approximations. Molecular Physics 113 (13-14), pp. 1961 - 1977 (2015)

Bykov, D.; Plog, M.; Neese, F.: Heme-bound nitroxyl, hydroxylamine, and ammonia ligands as intermediates in the reaction cycle of cytochrome c nitrite reductase: a theoretical study. Journal of Biological Inorganic Chemistry 19 (1), pp. 97 - 112 (2014)

Pandelia, M.-E.; Bykov, D.; Izsak, R.; Infossi, P.; Giudici-Orticoni, M.-T.; Bill, E.; Neese, F.; Lubitz, W.: Reply to Mouesca et al.: Electronic structure of the proximal [4Fe-3S] cluster of O₂-tolerant [NiFe] hydrogenases. Proceedings of the National Academy of Sciences of the United States of America 110 (28), E2539 (2013)

Pandelia, M.-E.; Bykov, D.; Izsak, R.; Infossi, P.; Giudici-Orticoni, M.-T.; Bill, E.; Neese, F.; Lubitz, W.: Electronic structure of the unique [4Fe-3S] cluster in O₂-tolerant hydrogenases characterized by ⁵⁷Fe Mössbauer and EPR spectroscopy. Proceedings of the National Academy of Sciences of the United States of America 110 (2), pp. 483 - 488 (2013)