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Paweł T. Panek

Braunschweig University of Technology

14

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On the choice of coordinates in anharmonic theoretical vibrational spectroscopy: Harmonic vs. anharmonic coupling in vibrational configuration interaction

2019 Journal of Chemical Physics
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On the Choice of Coordinates in Anharmonic Theoretical Vibrational Spectroscopy

2018 ChemRxiv
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Simulation of FRET dyes allows quantitative comparison against experimental data

2018 Journal of Chemical Physics
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On the benefits of localized modes in anharmonic vibrational calculations for small molecules

2016 arXiv: Chemical Physics
- Paweł T. Panek
- Christoph R. Jacob
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Anharmonic Theoretical Vibrational Spectroscopy of Polypeptides

2016 Journal of Physical Chemistry Letters
- Paweł T. Panek
- Christoph R. Jacob
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On the benefits of localized modes in anharmonic vibrational calculations for small molecules

2016 Journal of Chemical Physics
- Paweł T. Panek
- Christoph R. Jacob
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Methanol‐induced change of the mechanism of the temperature‐ and pressure‐induced collapse of N‐Substituted acrylamide copolymers

2015 Journal of Polymer Science
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Methanol‐induced change of the mechanism of the temperature‐ and pressure‐induced collapse of N‐Substituted acrylamide copolymers

2015 Journal of Polymer Science Part B
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Toward spectroscopic studies of biologically relevant systems: Vibrational spectrum of adenine as a test case for performances of long-range/dispersion corrected density functionals

2009 Chemical Physics Letters
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