Works by Andruniów, Tadeusz

Results: 14

Quantum Chemical Modeling and Preparation of a Biomimetic Photochemical SwitchThis work was supported by the Università di Siena (PAR02/04), FIRB (RBAU01EPMR), and COFIN2004 (Prot. 200431072_002). We are grateful to Prof. Donato Donati for help with the organic synthesis.

Published in:

Angewandte Chemie, 2007, v. 119, n. 3, p. 418, doi. 10.1002/ange.200602915

By:

Flavio Lumento;
Vinicio Zanirato;
Stefania Fusi;
Elena Busi;
Loredana Latterini;
Fausto Elisei;
Adalgisa Sinicropi;
Tadeusz Andruniów;
Nicolas Ferré;
Riccardo Basosi;
Massimo Olivucci

Publication type:

Article

Mechanism of the Initial Conformational Transition of a Photomodulable Peptide.

Published in:

Angewandte Chemie, 2005, v. 117, n. 37, p. 6231

By:

Tadeusz Andruniów;
Simona Fantacci;
Filippo De Angelis;
Nicolas Ferré;
Massimo Olivucci

Publication type:

Article

Recognition of the True and False Resonance Raman Optical Activity.

Published in:

Angewandte Chemie, 2021, v. 133, n. 39, p. 21375, doi. 10.1002/ange.202107600

By:

Machalska, Ewa;
Zajac, Grzegorz;
Wierzba, Aleksandra J.;
Kapitán, Josef;
Andruniów, Tadeusz;
Spiegel, Maciej;
Gryko, Dorota;
Bouř, Petr;
Baranska, Malgorzata

Publication type:

Article

Ab initio multireference study of Hetero-Diels-Alder reaction of buta-1,3-diene with alkyl glyoxylates.

Published in:

Journal of Molecular Modeling, 2008, v. 14, n. 8, p. 727, doi. 10.1007/s00894-008-0289-9

By:

Borys Szefczyk;
Tadeusz Andruniów;
W. Sokalski

Publication type:

Article

Recognition of the True and False Resonance Raman Optical Activity.

Published in:

Angewandte Chemie International Edition, 2021, v. 60, n. 39, p. 21205, doi. 10.1002/anie.202107600

By:

Machalska, Ewa;
Zajac, Grzegorz;
Wierzba, Aleksandra J.;
Kapitán, Josef;
Andruniów, Tadeusz;
Spiegel, Maciej;
Gryko, Dorota;
Bouř, Petr;
Baranska, Malgorzata

Publication type:

Article

Quantum chemistry study of the multiphoton absorption in enhanced green fluorescent protein at the single amino acid residue level.

Published in:

ChemPhysChem, 2022, v. 23, n. 20, p. 1, doi. 10.1002/cphc.202200335

By:

Grabarek, Dawid;
Andruniów, Tadeusz

Publication type:

Article

The Role of Hydrogen Bonds and Electrostatic Interactions in Enhancing Two‐Photon Absorption in Green and Yellow Fluorescent Proteins.

Published in:

ChemPhysChem, 2022, v. 23, n. 7, p. 1, doi. 10.1002/cphc.202200003

By:

Grabarek, Dawid;
Andruniów, Tadeusz

Publication type:

Article

Quantum Chemical Modeling and Preparation of a Biomimetic Photochemical SwitchThis work was supported by the Università di Siena (PAR02/04), FIRB (RBAU01EPMR), and COFIN2004 (Prot. 200431072_002). We are grateful to Prof. Donato Donati for help with the organic synthesis.

Published in:

Angewandte Chemie International Edition, 2007, v. 46, n. 3, p. 414, doi. 10.1002/anie.200602915

By:

Flavio Lumento;
Vinicio Zanirato;
Stefania Fusi;
Elena Busi;
Loredana Latterini;
Fausto Elisei;
Adalgisa Sinicropi;
Tadeusz Andruniów;
Nicolas Ferré;
Riccardo Basosi;
Massimo Olivucci

Publication type:

Article

Mechanism of the Initial Conformational Transition of a Photomodulable PeptideThe authors are grateful to Prof. Peter Hamm, Dr. Jan Helbing, and Prof. Gerhard Stock for useful comments. This work was supported by the Università di Siena (PAR02/04), FIRB (RBAU01EPMR), and COFIN2004. M.O. and T.A. are grateful for a Marie-Curie grant (HPMF-CT-2002-01769).

Published in:

Angewandte Chemie International Edition, 2005, v. 44, n. 37, p. 6077

By:

Tadeusz Andruniów;
Simona Fantacci;
Filippo De Angelis;
Nicolas Ferré;
Massimo Olivucci

Publication type:

Article

Flavones' and Flavonols' Antiradical Structure–Activity Relationship—A Quantum Chemical Study.

Published in:

Antioxidants, 2020, v. 9, n. 6, p. 461, doi. 10.3390/antiox9060461

By:

Spiegel, Maciej;
Andruniów, Tadeusz;
Sroka, Zbigniew

Publication type:

Article

Illuminating the origins of two‐photon absorption properties in fluorescent protein chromophores.

Published in:

International Journal of Quantum Chemistry, 2020, v. 120, n. 3, p. N.PAG, doi. 10.1002/qua.26086

By:

Grabarek, Dawid;
Andruniów, Tadeusz

Publication type:

Article

Initial excited‐state relaxation of locked retinal protonated schiff base chromophore. An insight from coupled cluster and multireference perturbation theory calculations.

Published in:

Journal of Computational Chemistry, 2018, v. 39, n. 22, p. 1720, doi. 10.1002/jcc.25346

By:

Grabarek, Dawid;
Andruniów, Tadeusz

Publication type:

Article

Is the choice of a standard zeroth‐order hamiltonian in CASPT2 ansatz optimal in calculations of excitation energies in protonated and unprotonated schiff bases of retinal?

Published in:

Journal of Computational Chemistry, 2018, v. 39, n. 20, p. 1470, doi. 10.1002/jcc.25217

By:

Wolański, Łukasz;
Grabarek, Dawid;
Andruniów, Tadeusz

Publication type:

Article

Excited-state minima and emission energies of retinal chromophore analogues: Performance of CASSCF and CC2 methods as compared with CASPT2.

Published in:

Journal of Computational Chemistry, 2017, v. 38, n. 20, p. 1799, doi. 10.1002/jcc.24821

By:

Szefczyk, Borys;
Grabarek, Dawid;
Walczak, Elżbieta;
Andruniów, Tadeusz

Publication type:

Article