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Journal of Computational Chemistry|April 30, 2004
Improved model core potentials for the second- and third-row transition metalsChristopher C Lovallo, Mariusz KlobukowskiJournal of Computational Chemistry|May 22, 2003
Development of new pseudopotential methods: improved model core potentials for the first-row transition metalsChristopher C Lovallo, Mariusz KlobukowskiThe Journal of Chemical Physics|July 23, 2004
Accurate ab initio pair potentials between helium and the heavier group 2 elementsChristopher C Lovallo, Mariusz KlobukowskiThe Journal of Chemical Physics|June 3, 2009
New model core potentials for goldTao Zeng, Mariusz KlobukowskiThe Journal of Physical Chemistry. A|May 22, 2008
Relativistic model core potential study of the Au+ Xe systemTao Zeng, Mariusz KlobukowskiThe Journal of Chemical Physics|January 19, 2011
Performance of dynamically weighted multiconfiguration self-consistent field and spin-orbit coupling calculations of diatomic molecules of Group 14 elementsTao Zeng, Dmitri G Fedorov, Mariusz KlobukowskiJournal of Molecular Graphics & Modelling|July 23, 2013
Similarity-based virtual screening for microtubule stabilizers reveals novel antimitotic scaffoldAhmed T Ayoub, Mariusz Klobukowski, Jack TuszynskiThe Journal of Chemical Physics|October 2, 2009
Model core potentials for studies of scalar-relativistic effects and spin-orbit coupling at Douglas-Kroll level. I. Theory and applications to Pb and BiTao Zeng, Dmitri G Fedorov, Mariusz KlobukowskiThe Journal of Chemical Physics|September 28, 2010
Model core potentials of p-block elements generated considering the Douglas-Kroll relativistic effects, suitable for accurate spin-orbit coupling calculationsTao Zeng, Dmitri G Fedorov, Mariusz KlobukowskiThe Journal of Chemical Physics|February 23, 2010
Multireference study of spin-orbit coupling in the hydrides of the 6p-block elements using the model core potential methodTao Zeng, Dmitri G Fedorov, Mariusz KlobukowskiPageof 4