Andruniów, Tadeusz : rechercher sur Z-Library

Grabarek, Dawid, Andruniow, Tadeusz

Année:

2016

Langue:

english

Fichier:

PDF, 12.14 MB

english, 2016

Assessment of functionals for TDDFT calculations of one- and two-photon absorption properties of neutral and anionic fluorescent proteins chromophores

Journal:

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

Année:

2018

Langue:

english

Fichier:

PDF, 1.51 MB

english, 2018

Mechanism of the Initial Conformational Transition of a Photomodulable Peptide

Journal:

Angewandte Chemie

Année:

2005

Langue:

english

Fichier:

PDF, 187 KB

english, 2005

Quantum Chemical Modeling and Preparation of a Biomimetic Photochemical Switch

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

Journal:

Angewandte Chemie

Année:

2007

Langue:

english

Fichier:

PDF, 232 KB

english, 2007

Mechanism of the Initial Conformational Transition of a Photomodulable Peptide

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

Journal:

Angewandte Chemie International Edition

Année:

2005

Langue:

english

Fichier:

PDF, 188 KB

english, 2005

Quantum Chemical Modeling and Preparation of a Biomimetic Photochemical Switch

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

Journal:

Angewandte Chemie International Edition

Année:

2007

Langue:

english

Fichier:

PDF, 232 KB

english, 2007

Resonance Raman study of Franck-Condon effects in the C10H8+ radical. Ab initio MCSCF calculations for the low-energy 2B2g and 2B3g symmetry states

Tadeusz Andruniow, Krzysztof Zborowski, Marek Pawlikowski

Journal:

Tadeusz Andruniow, Jadwiga Kuta, Marek Z. Zgierski, Pawel M. Kozlowski

Année:

1996

Langue:

english

Fichier:

PDF, 386 KB

english, 1996

Molecular orbital analysis of anomalous trans effect in cobalamins

Journal:

Tadeusz Andruniow, Marek Z. Zgierski, Pawel M. Kozlowski

Année:

2005

Langue:

english

Fichier:

PDF, 441 KB

english, 2005

DFT–SQM force field for cobalt corrinoids

Journal:

Tadeusz Andruniow, Marek Z. Zgierski, Pawel M. Kozlowski

Année:

2000

Langue:

english

Fichier:

PDF, 228 KB

english, 2000

New light on the Co–C bond activation in B12-dependent enzymes from density functional theory

Journal:

Tadeusz Andruniow, Marek Pawlikowski

Année:

2000

Langue:

english

Fichier:

PDF, 171 KB

english, 2000

Vibronic coupling effects in the low-energy 1 2B1g and 2 2B1g states of the C10H8+ radical

Journal:

Chemical Physics

Année:

1998

Langue:

english

Fichier:

PDF, 131 KB

english, 1998

The Franck–Condon effect in the lowest energy 12B2u state of tetracyanoquinodimethane anion. The resonance Raman studies in terms of density functional theory

Tadeusz Andruniow, Marek Pawlikowski, Mariusz Sterzel

Journal:

Vibrational Spectroscopy

Année:

1999

Langue:

english

Fichier:

PDF, 136 KB

english, 1999

Vibrational analysis of a solvated green fluorescent protein chromophore

Tadeusz Andruniów

Journal:

Journal of Molecular Modeling

Année:

2007

Langue:

english

Fichier:

PDF, 248 KB

english, 2007

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

Borys Szefczyk, Tadeusz Andruniów, W. Andrzej Sokalski

Journal:

Journal of Molecular Modeling

Année:

2008

Langue:

english

Fichier:

PDF, 250 KB

english, 2008

Photolysis of Methylcobalamin: Identification of the Relevant Excited States Involved in Co−C Bond Scission

Jaworska, Maria, Lodowski, Piotr, Andruniów, Tadeusz, Kozlowski, Pawel M.

Journal:

Andruniow, Tadeusz, Kozlowski, Pawel M., Zgierski, Marek Z.

Année:

2007

Langue:

english

Fichier:

PDF, 116 KB

english, 2007

Theoretical analysis of electronic absorption spectra of vitamin B[sub 12] models

Journal:

The Journal of Chemical Physics

Année:

2001

Langue:

english

Fichier:

PDF, 1.67 MB

english, 2001

Effects of the Protein Environment on the Spectral Properties of Tryptophan Radicals in Pseudomonas aeruginosa Azurin

Bernini, Caterina, Andruniów, Tadeusz, Olivucci, Massimo, Pogni, Rebecca, Basosi, Riccardo, Sinicropi, Adalgisa

Journal:

Journal of the American Chemical Society

Année:

2013

Langue:

english

Fichier:

PDF, 3.16 MB

english, 2013

Geometries and Vertical Excitation Energies in Retinal Analogues Resolved at the CASPT2 Level of Theory: Critical Assessment of the Performance of CASSCF, CC2, and DFT Methods

Walczak, Elżbieta, Szefczyk, Borys, Andruniów, Tadeusz

Journal:

Lodowski, Piotr, Jaworska, Maria, Andruniów, Tadeusz, Garabato, Brady D., Kozlowski, Pawel M.

Année:

2013

Langue:

english

Fichier:

PDF, 810 KB

english, 2013

Mechanism of the S 1 excited state internal conversion in vitamin B 12

Journal:

Physical Chemistry Chemical Physics

Année:

2014

Langue:

english

Fichier:

PDF, 1.90 MB

english, 2014

DFT Analysis of Co−Alkyl and Co−Adenosyl Vibrational Modes in B 12 -Cofactors

Kozlowski, Pawel M., Andruniow, Tadeusz, Jarzecki, Andrzej A., Zgierski, Marek Z., Spiro, Thomas G.

Journal:

Inorganic Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 131 KB

english, 2006

Theoretical Determination of the Co−C Bond Energy Dissociation in Cobalamins

Andruniow, Tadeusz, Zgierski, Marek Z., Kozlowski, Pawel M.

Journal:

Journal of the American Chemical Society

Année:

2001

Langue:

english

Fichier:

PDF, 39 KB

english, 2001

Electronic and Structural Properties of Low-lying Excited States of Vitamin B 12

Lodowski, Piotr, Jaworska, Maria, Kornobis, Karina, Andruniów, Tadeusz, Kozlowski, Pawel M.

Journal:

Andruniow, Tadeusz, Zgierski, Marek Z., Kozlowski, Pawel M.

Année:

2011

Langue:

english

Fichier:

PDF, 7.65 MB

english, 2011

Vibrational Analysis of Methylcobalamin

Journal:

Journal of Physical Chemistry A

Année:

2002

Langue:

english

Fichier:

PDF, 137 KB

english, 2002

Properties of the Emitting State of the Green Fluorescent Protein Resolved at the CASPT2//CASSCF/CHARMM Level

Sinicropi, Adalgisa, Andruniow, Tadeusz, Ferré, Nicolas, Basosi, Riccardo, Olivucci, Massimo

Journal:

Journal of the American Chemical Society

Année:

2005

Langue:

english

Fichier:

PDF, 88 KB

english, 2005

Density Functional Theory Analysis of Stereoelectronic Properties of Cobalamins †

Andruniow, Tadeusz, Zgierski, Marek Z., Kozlowski, Pawel M.

Journal:

Schapiro, Igor, Fusi, Stefania, Olivucci, Massimo, Andruniów, Tadeusz, Sasidharanpillai, Swaroop, Loppnow, Glen R.

Année:

2000

Langue:

english

Fichier:

PDF, 118 KB

english, 2000

Initial Excited-State Dynamics of an N -Alkylated Indanylidene–Pyrroline (NAIP) Rhodopsin Analog

Journal:

Walczak, Elżbieta, Szefczyk, Borys, Andruniów, Tadeusz

Année:

2014

Langue:

english

Fichier:

PDF, 1.94 MB

english, 2014

Erratum to “Geometries and Vertical Excitation Energies in Retinal Analogues Resolved at the CASPT2 Level of Theory: Critical Assessment of the Performance of CASSCF, CC2, and DFT Methods”

Journal:

Lodowski, Piotr, Jaworska, Maria, Andruniów, Tadeusz, Garabato, Brady D., Kozlowski, Pawel M.

Année:

2014

Langue:

english

Fichier:

PDF, 132 KB

english, 2014

Mechanism of Co–C Bond Photolysis in the Base-On Form of Methylcobalamin

Journal:

Journal of Physical Chemistry A

Année:

2014

Langue:

english

Fichier:

PDF, 3.77 MB

english, 2014

Computational Photobiology and Beyond

Schapiro, Igor, Ryazantsev, Mikhail N., Ding, Wan Jian, Huntress, Mark M., Melaccio, Federico, Andruniow, Tadeusz, Olivucci, Massimo

Journal:

Australian Journal of Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 1.06 MB

english, 2010

Impacts of retinal polyene (de)methylation on the photoisomerization mechanism and photon energy storage of rhodopsin

Walczak, Elżbieta, Andruniów, Tadeusz

Journal:

Physical Chemistry Chemical Physics

Année:

2015

Langue:

english

Fichier:

PDF, 3.04 MB

english, 2015

Assessment of Approximate Coupled-Cluster and Algebraic-Diagrammatic-Construction Methods for Ground- and Excited-State Reaction Paths and the Conical-Intersection Seam of a Retinal-Chromophore Model

Tuna, Deniz, Lefrancois, Daniel, Wolanski, Lukasz, Gozem, Samer, Schapiro, Igor, Andruniów, Tadeusz, Dreuw, Andreas, Olivucci, Massimo

Journal: