| Electronically Excited States of Vitamin B12: Benchmark Calculations Including Time-Dependent Density Functional Theory and Correlated ab Initio Methods K Kornobis, N Kumar, BM Wong, P Lodowski, M Jaworska, T Andruniów, ... The Journal of Physical Chemistry A 115 (7), 1280-1292, 2011 | 118 | 2011 |
| The cobalt–methyl bond dissociation in methylcobalamin: new benchmark analysis based on density functional theory and completely renormalized coupled-cluster calculations PM Kozlowski, M Kumar, P Piecuch, W Li, NP Bauman, JA Hansen, ... Journal of Chemical Theory and Computation 8 (6), 1870-1894, 2012 | 107 | 2012 |
| Photolytic properties of cobalamins: a theoretical perspective PM Kozlowski, BD Garabato, P Lodowski, M Jaworska Dalton transactions 45 (11), 4457-4470, 2016 | 74 | 2016 |
| Electronic structure of the S1 state in methylcobalamin: Insight from CASSCF/MC‐XQDPT2, EOM‐CCSD, and TD‐DFT calculations K Kornobis, N Kumar, P Lodowski, M Jaworska, P Piecuch, JJ Lutz, ... Journal of Computational Chemistry 34 (12), 987-1004, 2013 | 69 | 2013 |
| Photolysis of methylcobalamin: identification of the relevant excited states involved in Co− C bond scission M Jaworska, P Lodowski, T Andruniów, PM Kozlowski The Journal of Physical Chemistry B 111 (10), 2419-2422, 2007 | 57 | 2007 |
| Photodissociation of Co− C bond in methyl-and ethylcobalamin: an insight from TD-DFT calculations P Lodowski, M Jaworska, T Andruniów, M Kumar, PM Kozlowski The Journal of Physical Chemistry B 113 (19), 6898-6909, 2009 | 55 | 2009 |
| Natural bond orbital analysis and density functional study of linear and bent oxo-bridged dimers of rhenium (V) B Machura, M Jaworska, P Lodowski Journal of Molecular Structure: THEOCHEM 766 (1), 1-8, 2006 | 53 | 2006 |
| Mechanism of Co–C bond photolysis in methylcobalamin: influence of axial base P Lodowski, M Jaworska, BD Garabato, PM Kozlowski The Journal of Physical Chemistry A 119 (17), 3913-3928, 2015 | 48 | 2015 |
| Electronic and Structural Properties of Low-lying Excited States of Vitamin B12 P Lodowski, M Jaworska, K Kornobis, T Andruniów, PM Kozlowski The Journal of Physical Chemistry B 115 (45), 13304-13319, 2011 | 47 | 2011 |
| Structure and UV-Vis spectroscopy of the iron-sulfur dinuclear nitrosyl complexes [Fe 2 S 2 (NO) 4] 2− and [Fe 2 (SR) 2 (NO) 4] M Jaworska, Z Stasicka New Journal of Chemistry 29 (4), 604-612, 2005 | 47 | 2005 |
| Mechanism of Co–C bond photolysis in the base-on form of methylcobalamin P Lodowski, M Jaworska, T Andruniów, BD Garabato, PM Kozlowski The Journal of Physical Chemistry A 118 (50), 11718-11734, 2014 | 42 | 2014 |
| Time-dependent density functional theory study of cobalt corrinoids: Electronically excited states of methylcobalamin T Andruniów, M Jaworska, P Lodowski, MZ Zgierski, R Dreos, ... The Journal of chemical physics 129 (8), 2008 | 42 | 2008 |
| Photolytic properties of the biologically active forms of vitamin B12 MJ Toda, P Lodowski, A Al Mamun, M Jaworska, PM Kozlowski Coordination Chemistry Reviews 385, 20-43, 2019 | 40 | 2019 |
| Electronic spectrum of Co-corrin calculated with the TDDFT method M Jaworska, P Lodowski Journal of Molecular Structure: THEOCHEM 631 (1-3), 209-223, 2003 | 36 | 2003 |
| Role of the Axial Base in the Modulation of the Cob (I) alamin Electronic Properties: Insight from QM/MM, DFT, and CASSCF Calculations N Kumar, M Alfonso-Prieto, C Rovira, P Lodowski, M Jaworska, ... Journal of Chemical Theory and Computation 7 (5), 1541-1551, 2011 | 35 | 2011 |
| Photostability of hydroxocobalamin: ultrafast excited state dynamics and computational studies TE Wiley, WR Miller, NA Miller, RJ Sension, P Lodowski, M Jaworska, ... The Journal of Physical Chemistry Letters 7 (1), 143-147, 2016 | 33 | 2016 |
| Application of Optical Nuclear Polarization Enhanced 13C NMR G Buntkowsky, W Hoffmann, T Kupka, G Pasterna, M Jaworska, HM Vieth The Journal of Physical Chemistry A 102 (29), 5794-5801, 1998 | 33 | 1998 |
| Mechanism of the S 1 excited state internal conversion in vitamin B 12 P Lodowski, M Jaworska, T Andruniów, BD Garabato, PM Kozlowski Physical Chemistry Chemical Physics 16 (35), 18675-18679, 2014 | 32 | 2014 |
| Synthesis, spectroscopic and electronic characterizations of two half sandwich ruthenium (II) complexes with 2-(2′-hydroxyphenyl)-benzoxazole and 4-picolinic acid ligands JG Małecki, R Kruszynski, M Jaworska, P Lodowski, Z Mazurak Journal of Organometallic Chemistry 693 (6), 1096-1108, 2008 | 32 | 2008 |
| GIAO NMR calculations for carbazole and its N‐methyl and N‐ethyl derivatives. Comparison of theoretical and experimental 13C chemical shifts T Kupka, G Pasterna, M Jaworska, A Karali, P Dais Magnetic Resonance in Chemistry 38 (3), 149-155, 2000 | 32 | 2000 |
