| Tracking the excited-state time evolution of the visual pigment with multiconfigurational quantum chemistry LM Frutos, T Andruniów, F Santoro, N Ferré, M Olivucci Proceedings of the National Academy of Sciences 104 (19), 7764-7769, 2007 | 323 | 2007 |
| Structure, initial excited-state relaxation, and energy storage of rhodopsin resolved at the multiconfigurational perturbation theory level T Andruniów, N Ferré, M Olivucci Proceedings of the National Academy of Sciences 101 (52), 17908-17913, 2004 | 277 | 2004 |
| Properties of the emitting state of the green fluorescent protein resolved at the CASPT2//CASSCF/CHARMM level A Sinicropi, T Andruniow, N Ferré, R Basosi, M Olivucci Journal of the American Chemical Society 127 (33), 11534-11535, 2005 | 176 | 2005 |
| Assessment of approximate coupled-cluster and algebraic-diagrammatic-construction methods for ground-and excited-state reaction paths and the conical-intersection seam of a … D Tuna, D Lefrancois, Ł Wolański, S Gozem, I Schapiro, T Andruniów, ... Journal of Chemical Theory and Computation 11 (12), 5758-5781, 2015 | 145 | 2015 |
| 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 |
| Theoretical determination of the Co− C bond energy dissociation in cobalamins T Andruniow, MZ Zgierski, PM Kozlowski Journal of the American Chemical Society 123 (11), 2679-2680, 2001 | 116 | 2001 |
| Quantum chemical modeling and preparation of a biomimetic photochemical switch F Lumento, S Fusi, E Busi, L Latterini, F Elisei, A Sinicropi, T Andruniów, ... ANGEWANDTE CHEMIE. INTERNATIONAL EDITION 46, 414-420, 2007 | 91 | 2007 |
| Flavones’ and flavonols’ antiradical structure–activity relationship—A quantum chemical study M Spiegel, T Andruniów, Z Sroka Antioxidants 9 (6), 461, 2020 | 85 | 2020 |
| Density functional theory analysis of stereoelectronic properties of cobalamins T Andruniow, MZ Zgierski, PM Kozlowski The Journal of Physical Chemistry B 104 (46), 10921-10927, 2000 | 78 | 2000 |
| Theoretical analysis of electronic absorption spectra of vitamin models T Andruniow, PM Kozlowski, MZ Zgierski The Journal of Chemical Physics 115 (16), 7522-7533, 2001 | 76 | 2001 |
| Vibrational analysis of methylcobalamin T Andruniow, MZ Zgierski, PM Kozlowski The Journal of Physical Chemistry A 106 (7), 1365-1373, 2002 | 60 | 2002 |
| New light on the Co–C bond activation in B12-dependent enzymes from density functional theory T Andruniow, MZ Zgierski, PM Kozlowski Chemical Physics Letters 331 (5-6), 509-512, 2000 | 57 | 2000 |
| 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 |
| 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 |
| Computational photobiology and beyond I Schapiro, MN Ryazantsev, WJ Ding, MM Huntress, F Melaccio, ... Australian journal of chemistry 63 (3), 413-429, 2010 | 43 | 2010 |
| 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 |
| DFT–SQM force field for cobalt corrinoids T Andruniow, MZ Zgierski, PM Kozlowski Chemical Physics Letters 331 (5-6), 502-508, 2000 | 38 | 2000 |
| Effects of the Protein Environment on the Spectral Properties of Tryptophan Radicals in Pseudomonas aeruginosa Azurin C Bernini, T Andruniów, M Olivucci, R Pogni, R Basosi, A Sinicropi Journal of the American Chemical Society 135 (12), 4822-4833, 2013 | 36 | 2013 |
