B.Sc. 2008, M.Sc. 2010.
The list of publications
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5. Biczysko Małgorzata, Bloino Julien, Carnimeo Ivan, Panek Paweł, Barone Vincenzo,
"Simulation of theoretical IR spectra for complex molecular systems from vibrational perturbative approaches: glycine as a test case",
J. Mol. Struct., 1009, (2012), 74-82.
4. Barone Vincenzo, Biczysko Malgorzata, Bloino Julien, Borkowska-Panek Monika , Carnimeo Ivan , and Panek Paweł,
"Toward anharmonic computations of vibrational spectra for large molecular systems",
Int. J. Q. Chem., 112, 9, (2012), 2185–2200.
3. Panek Paweł, Biczysko Małgorzata, Latajka Zdzisław,
"Reinvestigation of spectroscopic properties for ammonia-hydrogen halide complexes from Car-Parrinello Molecular Dynamics",
Chem. Phys. Lett., 514, (2011), 44-48.
2. Biczysko Małgorzata, Panek Paweł, Scalmani Giovanni, Bloino Julien, Barone Vincenzo,
"Harmonic and Anharmonic Vibrational Frequency Calculations with the Double-Hybrid B2PLYP Method: Analytic Second
Derivatives and Benchmark Studies",
J. Chem. Theory Comput., 6, (2010), 2115-2125.
1. Biczysko Małgorzata, Panek Paweł, Barone Vincenzo,
"Toward spectroscopic studies of biologically relevant systems: Vibrational spectrum of adenine as a test case for performances of long-range/dispersion corrected density functionals",
Chem. Phys. Lett., 475, (2009), 105-110.
