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Teobald Kupka
Teobald Kupka
Verified email at uni.opole.pl
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Cited by
Year
Propagation of light in metallic nanowire arrays: Finite-difference time-domain studies of silver cylinders
SK Gray, T Kupka
Physical review B 68 (4), 045415, 2003
3092003
Convergence of nuclear magnetic shieldings in the Kohn− Sham limit for several small molecules
T Kupka, M Stachów, M Nieradka, J Kaminsky, T Pluta
Journal of Chemical Theory and Computation 6 (5), 1580-1589, 2010
1222010
Nanotechnologie
RW Kelsall, IW Hamley, M Geoghegan, KJ Kurzydłowski, KJ Kurzydłowski, ...
Wydawnictwo Naukowe PWN, 2009
1102009
Computational modeling of molecularly imprinted polymers as a green approach to the development of novel analytical sorbents
M Marć, T Kupka, PP Wieczorek, J Namieśnik
TrAC Trends in Analytical Chemistry 98, 64-78, 2018
932018
Toward Hartree− Fock-and Density Functional Complete Basis-Set-Predicted NMR Parameters
T Kupka, B Ruscic, RE Botto
The Journal of Physical Chemistry A 106 (43), 10396-10407, 2002
862002
Theoretical DFT and experimental NMR studies on uracil and 5-fluorouracil
B Blicharska, T Kupka
Journal of molecular structure 613 (1-3), 153-166, 2002
852002
Polarization-consistent versus correlation-consistent basis sets in predicting molecular and spectroscopic properties
T Kupka, C Lim
The Journal of Physical Chemistry A 111 (10), 1927-1932, 2007
812007
Basis set convergence of indirect spin–spin coupling constants in the Kohn–Sham limit for several small molecules
T Kupka, M Nieradka, M Stachów, T Pluta, P Nowak, H Kjær, J Kongsted, ...
The Journal of Physical Chemistry A 116 (14), 3728-3738, 2012
792012
Theoretical DFT and experimental Raman and NMR studies on thiophene, 3-methylthiophene and selenophene
T Kupka, R Wrzalik, G Pasterna, K Pasterny
Journal of molecular structure 616 (1-3), 17-32, 2002
762002
New dioxytetraethyleneoxy macrocyclic cyclophosphazene derivatives
K Brandt, T Kupka, J Drodz, JC van de Grampel, A Meetsma, AP Jekel
Inorganica chimica acta 228 (2), 187-192, 1995
761995
Thermodynamic vs Supramolecular Effects in the Regiocontrol of the Formation of New Cyclotriphosphazene-Containing Chiral Ligands with 1,1‘-Binaphthyl Units:  Spiro vs Ansa …
K Brandt, I Porwolik-Czomperlik, M Siwy, T Kupka, RA Shaw, DB Davies, ...
Journal of the American Chemical Society 119 (51), 12432-12440, 1997
681997
Spectroscopic characterization of natural corals
B Kaczorowska, A Hacura, T Kupka, R Wrzalik, E Talik, G Pasterny, ...
Analytical and Bioanalytical Chemistry 377, 1032-1037, 2003
532003
From CCSD (T)/aug‐cc‐pVTZ‐J to CCSD (T) complete basis set limit isotropic nuclear magnetic shieldings via affordable DFT/CBS calculations
T Kupka, M Stachów, M Nieradka, J Kaminsky, T Pluta, SPA Sauer
Magnetic Resonance in Chemistry 49 (5), 231-236, 2011
512011
H2O, H2, HF, F2 and F2O nuclear magnetic shielding constants and indirect nuclear spin–spin coupling constants (SSCCs) in the BHandH/pcJ‐n and BHandH …
T Kupka
Magnetic Resonance in Chemistry 47 (11), 959-970, 2009
512009
GIAO–DFT prediction of accurate NMR parameters in selected glucose derivatives
T Kupka, G Pasterna, P Lodowski, W Szeja
Magnetic resonance in chemistry 37 (6), 421-426, 1999
511999
A regioselective route to new polytopic receptors by diaminolysis of chlorocyclotriphosphazatriene-containing crown ethers
K Brandt, I Porwolik-Czomperlik, M Siwy, T Kupka, RA Shaw, S Ture, ...
The Journal of Organic Chemistry 64 (20), 7299-7304, 1999
481999
DFT studies of COOH tip-functionalized zigzag and armchair single wall carbon nanotubes
E Chełmecka, K Pasterny, T Kupka, L Stobiński
Journal of molecular modeling 18, 2241-2246, 2012
452012
Complete basis set B3LYP NMR calculations of CDCl3 solvent's water fine spectral details
T Kupka
Magnetic Resonance in Chemistry 46 (9), 851-858, 2008
452008
Prediction of water's isotropic nuclear shieldings and indirect nuclear spin–spin coupling constants (SSCCs) using correlation‐consistent and polarization‐consistent basis sets …
T Kupka
Magnetic Resonance in Chemistry 47 (3), 210-221, 2009
422009
β-Lactam antibiotics. Spectroscopy and molecular orbital (MO) calculations: Part I: IR studies of complexation in penicillin-transition metal ion systems and semi-empirical PM3 …
T Kupka
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 53 (14 …, 1997
421997
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