Šimon Budzák
Cited by
Cited by
Tuning ESIPT fluorophores into dual emitters
C Azarias, Š Budzák, AD Laurent, G Ulrich, D Jacquemin
Chemical science 7 (6), 3763-3774, 2016
Accurate excited-state geometries: A CASPT2 and coupled-cluster reference database for small molecules
S Budzák, G Scalmani, D Jacquemin
Journal of chemical theory and computation 13 (12), 6237-6252, 2017
On the Fine‐Tuning of the Excited‐State Intramolecular Proton Transfer (ESIPT) Process in 2‐(2′‐Hydroxybenzofuran) benzazole (HBBX) Dyes
E Heyer, K Benelhadj, S Budzák, D Jacquemin, J Massue, G Ulrich
Chemistry–A European Journal 23 (30), 7324-7336, 2017
Arylazoindazole Photoswitches: Facile Synthesis and Functionalization via SNAr Substitution
R Travieso-Puente, S Budzak, J Chen, P Stacko, JTBH Jastrzebski, ...
Journal of the American Chemical Society 139 (9), 3328-3331, 2017
Dipole moment and polarizability of the low-lying excited states of uracil
T Pluta, M Kolaski, Š Budzák
Chemical Physics Letters 546, 24-29, 2012
Static NLO responses of fluorinated polyacetylene chains evaluated with long-range corrected density functionals
Š Budzák, T Pluta
Chemical Physics Letters 515 (1-3), 78-84, 2011
Mechanism of Fluorescence Switching in One ESIPT-Based Al3+ Probe
S Budzak, D Jacquemin
The Journal of Physical Chemistry B 120 (27), 6730-6738, 2016
General Principles for the Design of Visible‐Light‐Responsive Photoswitches: Tetra‐ortho‐Chloro‐Azobenzenes
LN Lameijer, S Budzak, NA Simeth, MJ Hansen, BL Feringa, ...
Angewandte Chemie 132 (48), 21847-21854, 2020
Efficient Light‐Induced pKa Modulation Coupled to Base‐Catalyzed Photochromism
J Gurke, Š Budzák, BM Schmidt, D Jacquemin, S Hecht
Angewandte Chemie International Edition 57 (17), 4797-4801, 2018
Solvatochromic Shifts in UV–Vis Absorption Spectra: The Challenging Case of 4-Nitropyridine N-Oxide
S Budzak, AD Laurent, C Laurence, M Medved’, D Jacquemin
Journal of chemical theory and computation 12 (4), 1919-1929, 2016
Calculations of n→π* Transition Energies: Comparisons Between TD-DFT, ADC, CC, CASPT2, and BSE/GW Descriptions
C Azarias, C Habert, S Budzák, X Blase, I Duchemin, D Jacquemin
The Journal of Physical Chemistry A 121 (32), 6122-6134, 2017
Synthesis and Photophysical Properties of Novel Donor–Acceptor N-(Pyridin-2-yl)-Substituted Benzo(thio)amides and Their Difluoroboranyl Derivatives
B Jedrzejewska, A Zakrzewska, G Mloston, S Budzak, K Mroczynska, ...
The Journal of Physical Chemistry A 120 (24), 4116-4123, 2016
Full cLR-PCM calculations of the solvatochromic effects on emission energies
S Chibani, Š Budzák, B Mennucci, D Jacquemin
Physical Chemistry Chemical Physics 16 (47), 26024-26029, 2014
Electric properties of the low-lying excited states of benzonitrile: Geometry relaxation and solvent effects
M Medveď, Š Budzák, T Pluta
Theoretical Chemistry Accounts 134 (6), 1-14, 2015
Exploring the Solvatochromism of Betaine 30 with Ab Initio Tools: From Accurate Gas‐Phase Calculations to Implicit and Explicit Solvation Models
Š Budzák, T Jaunet‐Lahary, AD Laurent, C Laurence, M Medved', ...
Chemistry–A European Journal 23 (17), 4108-4119, 2017
Unveiling solvents effect on excited-state polarizabilities with the corrected linear-response model
S Budzák, M Medved′, B Mennucci, D Jacquemin
The Journal of Physical Chemistry A 118 (30), 5652-5656, 2014
MP2 and DFT study of IR spectra of TCNE‐methylsubstituted benzene complexes: Is charge transfer important?
O Kysel, Š Budzák, P Mach, M Medved̆
International Journal of Quantum Chemistry 110 (9), 1712-1728, 2010
MP2, DFT‐D, and PCM study of the HMB–TCNE complex: Thermodynamics, electric properties, and solvent effects
O Kysel, Š Budzák, M Medveď, P Mach
International Journal of Quantum Chemistry 108 (9), 1533-1545, 2008
Theoretical analysis of charge-transfer electronic spectra of methylated benzenes—TCNE complexes including solvent effects: approaching experiment
P Mach, Š Budzák, M Medveď, O Kyseľ
Theoretical Chemistry Accounts 131 (9), 1-14, 2012
High second-order NLO responses of dehydrogenated hydrogen cyanide borane (1) oligomers
M Medveď, Š Budzák, I Černušák
Journal of Molecular Structure: THEOCHEM 961 (1-3), 66-72, 2010
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