Paweł Tomasz Panek

Paweł Tomasz Panek

Technische Universität Braunschweig - Braunschweig / Germany
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 1765352
Braunschweig University of Technology
person_outline Paweł Tomasz Panek's MOST POPULAR ARTICLES
1-) Harmonic and anharmonic vibrational frequency calculations with the double-hybrid B2PLYP method: analytic second derivatives and benchmark studies Journal of Chemical Theory and Computation 6 (7), 2115-2125, 2010
2-) Efficient calculation of anharmonic vibrational spectra of large molecules with localized modes ChemPhysChem 15 (15), 3365-3377, 2014
3-) Fully ab initio IR spectra for complex molecular systems from perturbative vibrational approaches: Glycine as a test case Journal of Molecular Structure 1009, 74-82, 2012
4-) Toward spectroscopic studies of biologically relevant systems: Vibrational spectrum of adenine as a test case for performances of long-range/dispersion corrected density … Chemical Physics Letters 475 (1-3), 105-110, 2009
5-) Toward spectroscopic studies of biologically relevant systems: Vibrational spectrum of adenine as a test case for performances of long-range/dispersion corrected density …M Biczysko, P Panek, V BaroneChemical Physics Letters 475 (1-3), 105-110, 2009582009