Convergence of Nuclear Magnetic Shieldings in the Kohn−Sham Limit for Several Small Molecules von Kupka, Teobald, Stachów, Michał, Nieradka, Marzena, Kaminsky, Jakub, Pluta, Tadeusz

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Basis Set Convergence of Indirect Spin–Spin Coupling Constants in the Kohn–Sham Limit for Several Small Molecules von Kupka, Teobald, Nieradka, Marzena, Stachów, Michał, Pluta, Tadeusz, Nowak, Piotr, Kjær, Hanna, Kongsted, Jacob, Kaminsky, Jakub

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A letter to the editor. Three-vote on the National Mental Health Programme von Kiejna, Andrzej, Stachów, Michał, Krzyżanowski, Dominik

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Calculation of Raman parameters of real-size zigzag (, 0) single-walled carbon nanotubes using finite-size models von Kupka, Teobald, Stachów, Michal, Stobi ski, Leszek, Kaminský, Jakub

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DFT calculations of structures, 13C NMR chemical shifts and Raman RBM mode of simple models of ultra small diameter (4,0) zigzag hydroxylated single wall carbon nanotubes von Kupka, Teobald, Stachów, Michał, Chełmecka, Elżbieta, Pasterny, Karol, Stobiński, Leszek

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DFT study of zigzag (n, 0) single-walled carbon nanotubes: 13C NMR chemical shifts von Kupka, Teobald, Stachów, Michal, Stobiński, Leszek, Kaminský, Jakub

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Theoretical prediction of nuclear magnetic shieldings and indirect spin-spin coupling constants in 1,1-, cis-, and trans-1,2-difluoroethylenes von Nozirov, Farhod, Kupka, Teobald, Stachów, Michał

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Challenges for psychiatric health care for adults in Lower Silesia von Kiejna, Andrzej, Stachów, Michał, Krzyżanowski, Dominik

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Efficient Modeling of NMR Parameters in Carbon Nanosystems von Kupka, Teobald, Stachów, Michał, Chełmecka, Elżbieta, Pasterny, Karol, Stobińska, Magdalena, Stobiński, Leszek, Kaminský, Jakub

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DFT studies on the structural and vibrational properties of polyenes von Kupka, Teobald, Buczek, Aneta, Broda, Małgorzata A., Stachów, Michał, Tarnowski, Przemysław

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3 He NMR: from free gas to its encapsulation in fullerene von Kupka, Teobald, Stachów, Michał, Stobiński, Leszek, Kaminský, Jakub

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Estimation of isotropic nuclear magnetic shieldings in the CCSD(T) and MP2 complete basis set limit using affordable correlation calculations von Kupka, Teobald, Stachów, Michał, Kaminsky, Jakub, Sauer, Stephan P. A.

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3He NMR: from free gas to its encapsulation in fullerene von Kupka, Teobald, Stachów, Michał, Stobiński, Leszek, Kaminský, Jakub

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DFT calculation of structures and NMR chemical shifts of simple models of small diameter zigzag single wall carbon nanotubes (SWCNTs) von Kupka, Teobald, Stachów, Michał, Nieradka, Marzena, Stobiński, Leszek

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DFT calculations of structures, (13)C NMR chemical shifts, and Raman RBM mode of simple models of small-diameter zigzag (4,0) carboxylated single-walled carbon nanotubes von Kupka, Teobald, Chełmecka, Elżbieta, Pasterny, Karol, Stachów, Michał, Stobiński, Leszek

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Theoretical prediction of structural, vibrational and NMR parameters of plastic optical fiber (POF) material precursors. Cis and trans perhydro- and perfluoro-2-methylene-4,5-dimet... von Nozirov, Farhod, Kupka, Teobald, Stachów, Michał

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DFT calculations of structures, 13 C NMR chemical shifts, and Raman RBM mode of simple models of small‐diameter zigzag (4,0) carboxylated single‐walled carbon nanotubes von Kupka, Teobald, Chełmecka, Elżbieta, Pasterny, Karol, Stachów, Michał, Stobiński, Leszek

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DFT study of zigzag (n, 0) single-walled carbon nanotubes: (13)C NMR chemical shifts von Kupka, Teobald, Stachów, Michal, Stobiński, Leszek, Kaminský, Jakub

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From CCSD(T)/aug-cc-pVTZ-J to CCSD(T) complete basis set limit isotropic nuclear magnetic shieldings via affordable DFT/CBS calculations von Kupka, Teobald, Stachów, Michał, Nieradka, Marzena, Kaminsky, Jakub, Pluta, Tadeusz, Sauer, Stephan P. A.

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DFT calculations of structures, 13C NMR chemical shifts, and Raman RBM mode of simple models of small-diameter zigzag (4,0) carboxylated single-walled carbon nanotubes von Kupka, Teobald, Chełmecka, Elżbieta, Pasterny, Karol, Stachów, Michał, Stobiński, Leszek

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