Anharmonic Theoretical Vibrational Spectroscopy of Polypeptides
Panek, Paweł T, Jacob, Christoph R
Published in The journal of physical chemistry letters (18.08.2016)
Published in The journal of physical chemistry letters (18.08.2016)
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Journal Article
On the choice of coordinates in anharmonic theoretical vibrational spectroscopy: Harmonic vs. anharmonic coupling in vibrational configuration interaction
Panek, Paweł T, Hoeske, Adrian A, Jacob, Christoph R
Published in The Journal of chemical physics (07.02.2019)
Published in The Journal of chemical physics (07.02.2019)
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Journal Article
Methanol‐induced change of the mechanism of the temperature‐ and pressure‐induced collapse of N‐Substituted acrylamide copolymers
Hofmann, Christian H, Grobelny, Sebastian, Panek, Paweł T, Heinen, Laura K. M, Wiegand, Ann‐Kristin, Plamper, Felix A, Jacob, Christoph R, Winter, Roland, Richtering, Walter
Published in Journal of polymer science. Part B, Polymer physics (01.04.2015)
Published in Journal of polymer science. Part B, Polymer physics (01.04.2015)
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Journal Article
Simulation of FRET dyes allows quantitative comparison against experimental data
Reinartz, Ines, Sinner, Claude, Nettels, Daniel, Stucki-Buchli, Brigitte, Stockmar, Florian, Panek, Pawel T., Jacob, Christoph R., Nienhaus, Gerd Ulrich, Schuler, Benjamin, Schug, Alexander
Published in The Journal of chemical physics (28.03.2018)
Published in The Journal of chemical physics (28.03.2018)
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Journal Article
Analysis of Geometrical Accuracy and Surface Quality of Threaded and Spline Connections Manufactured Using MEX, MJ and VAT Additive Technologies
Sarzyński, Marcin, Chudzik, Kamila, Panek, Paweł, Sarzyński, Bartłomiej, Zaborniak, Małgorzata
Published in Materials (22.10.2024)
Published in Materials (22.10.2024)
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Journal Article
Harmonic and Anharmonic Vibrational Frequency Calculations with the Double-Hybrid B2PLYP Method: Analytic Second Derivatives and Benchmark Studies
Biczysko, Malgorzata, Panek, Pawel, Scalmani, Giovanni, Bloino, Julien, Barone, Vincenzo
Published in Journal of chemical theory and computation (13.07.2010)
Published in Journal of chemical theory and computation (13.07.2010)
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Journal Article
Toward spectroscopic studies of biologically relevant systems: Vibrational spectrum of adenine as a test case for performances of long-range/dispersion corrected density functionals
Biczysko, Malgorzata, Panek, Pawel, Barone, Vincenzo
Published in Chemical physics letters (16.06.2009)
Published in Chemical physics letters (16.06.2009)
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