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Tadeusz Andruniów
Tadeusz Andruniów
Wroclaw University of Science and Technology
Verified email at pwr.edu.pl
Title
Cited by
Cited by
Year
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
2992007
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
2662004
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
1692005
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
1202015
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
1092011
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
1062001
Quantum chemical modeling and preparation of a biomimetic photochemical switch
F Lumento, V Zanirato, S Fusi, E Busi, L Latterini, F Elisei, A Sinicropi, ...
Angewandte Chemie 119 (3), 418-424, 2007
812007
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
762000
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
742001
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
572000
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
532007
Vibrational analysis of methylcobalamin
T Andruniow, MZ Zgierski, PM Kozlowski
The Journal of Physical Chemistry A 106 (7), 1365-1373, 2002
522002
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
512009
Computational photobiology and beyond
I Schapiro, MN Ryazantsev, WJ Ding, MM Huntress, F Melaccio, ...
Australian journal of chemistry 63 (3), 413-429, 2010
462010
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
422011
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
382014
Flavones’ and flavonols’ antiradical structure–activity relationship—A quantum chemical study
M Spiegel, T Andruniów, Z Sroka
Antioxidants 9 (6), 461, 2020
362020
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), 08B612, 2008
362008
Density functional study of absorption and resonance Raman spectra of pyromellitic diahydride (PMDA) anion
T Andruniow, M Pawlikowski, MZ Zgierski
The Journal of Physical Chemistry A 104 (4), 845-851, 2000
332000
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
322013
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