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 | 68 | 2013 |
Rhenium (I) terpyridine complexes–synthesis, photophysical properties and application in organic light emitting devices T Klemens, A Świtlicka-Olszewska, B Machura, M Grucela, ... Dalton Transactions 45 (4), 1746-1762, 2016 | 57 | 2016 |
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 | 56 | 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 | 53 | 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 |
GIAO–DFT prediction of accurate NMR parameters in selected glucose derivatives T Kupka, G Pasterna, P Lodowski, W Szeja Magnetic resonance in chemistry 37 (6), 421-426, 1999 | 52 | 1999 |
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 |
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 | 45 | 2015 |
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 | 41 | 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 | 40 | 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 | 39 | 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 |
Synthesis, photophysical properties and application in organic light emitting devices of rhenium (i) carbonyls incorporating functionalized 2, 2′: 6′, 2′′-terpyridines T Klemens, A Świtlicka-Olszewska, B Machura, M Grucela, H Janeczek, ... Rsc Advances 6 (61), 56335-56352, 2016 | 35 | 2016 |
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 |
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 |