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Kupka, T.; Ruscic, B.; Botto, R.E.
Argonne National Laboratory (United States). Funding organisation: USDOE Office of Science (United States)
arXiv e-print [ PDF ]2003
Argonne National Laboratory (United States). Funding organisation: USDOE Office of Science (United States)
arXiv e-print [ PDF ]2003
AbstractAbstract
[en] The nuclear shielding anisotropy and shielding tensor components calculated using the hybrid density functional B3PW91 are reported for a model set of compounds comprised of N2, NH3, CH4, C2H4, HCN and CH3CN. An estimation of density functional theory (DFT) and Hartree-Fock complete basis-set limit (CBS) parameters from a 2 (3) point exact fit vs. least-squares fit was obtained with the cc-pVxZ and aug-cc-pVxZ basis sets (x=D, T, Q, 5, 6). Both Hartree-Fock- and DFT-predicted CBS shielding anisotropies and shielding tensor components of the model molecules were in reasonable agreement with available experimental data. The utility of using a limited CBS approach for calculating accurate anisotropic shielding parameters of larger molecules as complementary methods to solid-state NMR is proposed.
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ANL/CHM/JA--43343; AC02-06CH11357
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The Henryk Niewodniczanski Institute of Nuclear Physics, Cracow (Poland); 101 p; Dec 2009; p. 38; 42 Polish Seminar on Nuclear Magnetic Resonance and its Applications; Cracow (Poland); 1-2 Dec 2009; Available at http://www.ifj.edu.pl/publ/reports/2009/2031.pdf?lang=pl; 15 refs.
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AbstractAbstract
No abstract available
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The Henryk Niewodniczanski Institute of Nuclear Physics, Cracow (Poland); 78 p; 2008; p. 33; 41. Polish Seminar on Nuclear Magnetic Resonance and Its Applications; Cracow (Poland); 1-2 Dec 2008; Also available from http://www.ifj.edu.pl/publ/reports/2008/2016.pdf?lang=pl; 17 refs.
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Kupka, T.; Gonska, A.; Stachow, M.
41 Polish Seminar on Nuclear Magnetic Resonance and Its Applications - Abstracts2008
41 Polish Seminar on Nuclear Magnetic Resonance and Its Applications - Abstracts2008
AbstractAbstract
No abstract available
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Source
The Henryk Niewodniczanski Institute of Nuclear Physics, Cracow (Poland); 78 p; 2008; p. 34; 41. Polish Seminar on Nuclear Magnetic Resonance and Its Applications; Cracow (Poland); 1-2 Dec 2008; Also available from http://www.ifj.edu.pl/publ/reports/2008/2016.pdf?lang=pl; 10 refs.
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Jezowska, J.; Kupka, T.; Pasterna, G.
Funding organisation: Polish Committee for Scientific Research, Warsaw (Poland)
Materials presented at the 26. All-Polish Seminar on the Nuclear Magnetic Resonance and its application1994
Funding organisation: Polish Committee for Scientific Research, Warsaw (Poland)
Materials presented at the 26. All-Polish Seminar on the Nuclear Magnetic Resonance and its application1994
AbstractAbstract
[en] The NMR spectra of 31P and 13C of model membranes DPPC/D2O and DPPC/D2O doped with different amounts of β-carotene have been measured in different temperatures. The influence of carotene on membrane structure, lipid chains mobility, phase transitions have been discussed on the base of observed differences in NMR spectra
Original Title
Badania blon modelowych domieszkowanych β-karotenem metodami MRJ
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Hennel, J.W. (comp.); Institute of Nuclear Physics, Cracow (Poland). Funding organisation: National Atomic Energy Agency, Warsaw (Poland); Polish Academy of Sciences, Warsaw (Poland); Bruker Analytische Messtechnik GmbH, Rheinstetten (Germany); Schering AG, Berlin (Germany); Siemens AG, Berlin (Germany); Varian Associates, Santa Clara, CA (United States); 511 p; 1994; p. 110-115; 26. All-Polish seminar on the nuclear magnetic resonance and its application; 26. Ogolnopolskie seminarium na temat magnetycznego rezonansu jadrowego i jego zastosowan; Cracow (Poland); 1-2 Dec 1993; KBN GRANT NO. 224110902; 7 refs, 7 figs.
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Pasterna, G.; Kupka, T.; Weglarz, W.; Blicharski, J.S.
Materials presented at the 26. All-Polish Seminar on the Nuclear Magnetic Resonance and its application1994
Materials presented at the 26. All-Polish Seminar on the Nuclear Magnetic Resonance and its application1994
AbstractAbstract
[en] The NMR spectra and relaxation time T1 for D2O - polyether liquid crystal solutions have been performed. The concentration and temperature changes in liquid crystal structure have been observed and discussed
Original Title
Relaksacja deuteronowa w ukladzie Arkopal 9-D2O
Primary Subject
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Source
Hennel, J.W. (comp.); Institute of Nuclear Physics, Cracow (Poland). Funding organisation: National Atomic Energy Agency, Warsaw (Poland); Polish Academy of Sciences, Warsaw (Poland); Bruker Analytische Messtechnik GmbH, Rheinstetten (Germany); Schering AG, Berlin (Germany); Siemens AG, Berlin (Germany); Varian Associates, Santa Clara, CA (United States); 511 p; 1994; p. 105-109; 26. All-Polish seminar on the nuclear magnetic resonance and its application; 26. Ogolnopolskie seminarium na temat magnetycznego rezonansu jadrowego i jego zastosowan; Cracow (Poland); 1-2 Dec 1993; 4 refs, 6 figs.
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Miscellaneous
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Skorzewska, J.; Kupka, T.; Broda, M.A.; Buczek, A.M.
43. Polish Seminar on Nuclear Magnetic Resonance and its Applications. Cracow. Abstracts2010
43. Polish Seminar on Nuclear Magnetic Resonance and its Applications. Cracow. Abstracts2010
AbstractAbstract
No abstract available
Primary Subject
Source
The Henryk Niewodniczanski Institute of Nuclear Physics, Cracow (Poland). Funding organisation: AMX-ARMAR AG, Lodz (Poland); BRUKER POLSKA SP. Z O.O, Poznan (Poland); AGILENT USA (Poland); Commitee of Physics, Polish Academy of Sciences, Warsaw (Poland); 77 p; Dec 2010; p. 47; 43. Polish Seminar on Nuclear Magnetic Resonance and its Applications; Cracow (Poland); 1-2 Dec 2010; Also available at http://www.ifj.edu.pl/publ/reports/2010/2046.pdf?lang=pl; 4 refs.
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Kupka, T.; Malecki, J.; Dziegielewski, J.; Pasterna, G.; Kruk, D.
Materials presented at the 27 All-Polish Seminar on the Nuclear Magnetic Resonance and its application1995
Materials presented at the 27 All-Polish Seminar on the Nuclear Magnetic Resonance and its application1995
AbstractAbstract
No abstract available
Original Title
Gd3+-D-penicyloamina jako potencjalny srodek kontrastowy w tomografii rezonansu magnetycznego (MRI)
Primary Subject
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Source
Hennel, J.W. (comp.); Institute of Nuclear Physics, Cracow (Poland). Funding organisation: National Atomic Energy Agency, Warsaw (Poland); Polish Academy of Sciences, Warsaw (Poland); Bruker Analytische Messtechnik GmbH, Rheinstetten (Germany); Siemens AG, Berlin (Germany); Varian Associates, Santa Clara, CA (United States); 434 p; 1995; p. 391-392; 27. All-Polish seminar on the nuclear magnetic resonance and its application; 27 Ogolnopolskie seminarium na temat magnetycznego rezonansu jadrowego i jego zastosowan; Cracow (Poland); 1-2 Dec 1994; 1 tab.
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AMINO ACIDS, CARBON ISOTOPES, CARBOXYLIC ACIDS, CHELATING AGENTS, COMPLEXES, DRUGS, EVEN-ODD NUCLEI, HYDROGEN ISOTOPES, ISOTOPES, LIGHT NUCLEI, NUCLEI, ODD-EVEN NUCLEI, ORGANIC ACIDS, ORGANIC COMPOUNDS, ORGANIC SULFUR COMPOUNDS, RADIOPROTECTIVE SUBSTANCES, RARE EARTH COMPLEXES, RESPONSE MODIFYING FACTORS, SPECTRA, STABLE ISOTOPES, THIOLS
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Brandt, K.; Placha, K.; Jedlinski, Z.; Kupka, T.
Materials presented at the 26. All-Polish Seminar on the Nuclear Magnetic Resonance and its application1994
Materials presented at the 26. All-Polish Seminar on the Nuclear Magnetic Resonance and its application1994
AbstractAbstract
No abstract available
Primary Subject
Secondary Subject
Source
Hennel, J.W. (comp.); Institute of Nuclear Physics, Cracow (Poland). Funding organisation: National Atomic Energy Agency, Warsaw (Poland); Polish Academy of Sciences, Warsaw (Poland); Bruker Analytische Messtechnik GmbH, Rheinstetten (Germany); Schering AG, Berlin (Germany); Siemens AG, Berlin (Germany); Varian Associates, Santa Clara, CA (United States); 511 p; 1994; p. 283-286; 26. All-Polish seminar on the nuclear magnetic resonance and its application; 26. Ogolnopolskie seminarium na temat magnetycznego rezonansu jadrowego i jego zastosowan; Cracow (Poland); 1-2 Dec 1993; 3 refs, 2 figs.
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Miscellaneous
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Kupka, T.; Raniszewska, A.; Broda, M.; Spulber, M.; Pinteala, M.; Fifere, A.
42 Polish Seminar on Nuclear Magnetic Resonance and its Applications. Cracow, 1-2 December 2009. Abstracts2009
42 Polish Seminar on Nuclear Magnetic Resonance and its Applications. Cracow, 1-2 December 2009. Abstracts2009
AbstractAbstract
No abstract available
Primary Subject
Source
The Henryk Niewodniczanski Institute of Nuclear Physics, Cracow (Poland); 101 p; Dec 2009; p. 37; 42 Polish Seminar on Nuclear Magnetic Resonance and its Applications; Cracow (Poland); 1-2 Dec 2009; Available at http://www.ifj.edu.pl/publ/reports/2009/2031.pdf?lang=pl; 2 refs., 1 fig.
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