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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
2992003
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
1062010
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
792002
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
772002
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
742002
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
721995
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
692007
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
662018
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
662012
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
651997
Spectroscopic characterization of natural corals
B Kaczorowska, A Hacura, T Kupka, R Wrzalik, E Talik, G Pasterny, ...
Analytical and bioanalytical chemistry 377 (6), 1032-1037, 2003
482003
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
441999
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
432009
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
421999
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
412009
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
411997
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
402008
New lariat ether-type macrocycles with cyclophosphazene subunits
K Brandt, I Porwolik, T Kupka, A Olejnik, RA Shaw, DB Davies
The Journal of Organic Chemistry 60 (23), 7433-7438, 1995
391995
Hartree–Fock and density functional complete basis-set (CBS) predicted nuclear shielding anisotropy and shielding tensor components
T Kupka, B Ruscic, RE Botto
Solid State Nuclear Magnetic Resonance 23 (3), 145-167, 2003
382003
Efficient modeling of NMR parameters in carbon nanosystems
T Kupka, M Stachów, E Chełmecka, K Pasterny, M Stobińska, L Stobinski, ...
Journal of Chemical Theory and Computation 9 (9), 4275-4286, 2013
372013
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