Polarized basis sets for accurate calculations of static and dynamic electric properties of molecules von Baranowska, Angelika, Sadlej, Andrzej J

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Coupled cluster calculations for static and dynamic polarizabilities of C60 von Kowalski, Karol, Hammond, Jeff R, de Jong, Wibe A, Sadlej, Andrzej J

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Reduced-size polarized basis sets for calculations of molecular electric properties. I. The basis set generation von Benkova, Zuzana, Sadlej, Andrzej J., Oakes, Roma E., Bell, Steven E. J.

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Estimates of the Energy of Intramolecular Hydrogen Bonds von Jabłoński, Mirosław, Kaczmarek, Anna, Sadlej, Andrzej J

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Thermodynamics and Kinetics of Intramolecular Proton Transfer in Guanine. Post Hartree−Fock Study von Gorb, Leonid, Kaczmarek, Anna, Gorb, Anastasiya, Sadlej, Andrzej J, Leszczynski, Jerzy

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Infinite-order two-component theory for relativistic quantum chemistry von Barysz, Maria, Sadlej, Andrzej J.

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Non-Linear Optical Properties of Matter: From Molecules to Condensed Phases von Papadopoulos, Manthos G, Leszczynski, Jerzy, Sadlej, Andrzej J

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Electric field gradients from shifted-nucleus calculations: an alternative to the point charge nuclear quadrupole moment model von Kellö, Vladimir, Sadlej, Andrzej J

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Blue-Shifting Intramolecular C−H···O Interactions von Jabłoński, Mirosław, Sadlej, Andrzej J

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Van der Waals Complexes of Cu, Ag, and Au with Hydrogen Sulfide. The Bonding Character von Granatier, Jaroslav, Urban, Miroslav, Sadlej, Andrzej J

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Model studies of the optical rotation, and theoretical determination of its sign for β-pinene and trans-pinane von Baranowska, Angelika, Łaczkowski, Krzysztof Z, Sadlej, Andrzej J

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The quadrupole moment of the Sb nucleus from molecular microwave data and calculated relativistic electric-field gradients von Demovič, Lukáš, Kellö, Vladimir, Sadlej, Andrzej J., Cooke, Stephen A.

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The change of picture contribution to relativistic corrections to second-order properties von Turski, Przemysław, Sadlej, Andrzej J.

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Picture change and calculations of expectation values in approximate relativistic theories von Kellö, Vladimir, Sadlej, Andrzej J.

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Reduced-size polarized basis sets for calculations of molecular electric properties. II. Simulation of the Raman spectra von Oakes, Roma E., Bell, Steven E. J., Benkova, Zuzana, Sadlej, Andrzej J.

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Electric quadrupole moment of the 27Al nucleus: Converging results from the AlF and AlCl molecules and the Al atom von Kellö, Vladimir, Sadlej, Andrzej J., Pyykkö, Pekka, Sundholm, Dage, Tokman, Maria

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Expectation values of operators in approximate two-component relativistic theories von Barysz, Maria, Sadlej, Andrzej J.

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Nuclear quadrupole moments of Kr and Xe from molecular data von KELLÖ, Vladimir, PYYKKÖ, Pekka, SADLEJ, Andrzej J

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Electronic structure and electric properties of the alkali metal dimers von Urban, Miroslav, Sadlej, Andrzej J.

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Monomer basis-set truncation effects in calculations of interaction energies: A model study von Kaczmarek, Anna, Sadlej, Andrzej J, Leszczynski, Jerzy

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