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 2015, 113, 1961–1977.

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 2014, 19, 97–112.

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 2013, 110, E2539.

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 2013, 110, 483–488.