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ORCIDJohannes Neugebauer
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2010 – 2019
- 2018
[j7]Jan P. Unsleber
, Thomas Dresselhaus, Kevin Klahr, David Schnieders, Michael Böckers, Dennis Barton, Johannes Neugebauer:
Serenity: A subsystem quantum chemistry program. J. Comput. Chem. 39(13): 788-798 (2018)- 2017
- [j6]Danny Schlüns, Mirko Franchini, Andreas W. Götz, Johannes Neugebauer, Christoph R. Jacob, Lucas Visscher:
Analytical gradients for subsystem density functional theory within the slater-function-based amsterdam density functional program. J. Comput. Chem. 38(4): 238-249 (2017) - 2012
- [j5]Thomas Weymuth, Moritz P. Haag, Karin Kiewisch, Sandra Luber, Stephan Schenk, Christoph R. Jacob, Carmen Herrmann, Johannes Neugebauer, Markus Reiher:
MOVIPAC: Vibrational spectroscopy with a robust meta-program for massively parallel standard and inverse calculations. J. Comput. Chem. 33(27): 2186-2198 (2012)
2000 – 2009
- 2008
- [j4]Christoph R. Jacob, Johannes Neugebauer, Lucas Visscher:
A flexible implementation of frozen-density embedding for use in multilevel simulations. J. Comput. Chem. 29(6): 1011-1018 (2008) - [j3]Carmen Herrmann, Johannes Neugebauer, Markus Reiher:
QM/MM vibrational mode tracking. J. Comput. Chem. 29(14): 2460-2470 (2008) - 2004
- [j2]Johannes Neugebauer, Markus Reiher:
Vibrational center-ligand couplings in transition metal complexes. J. Comput. Chem. 25(4): 587-597 (2004) - 2002
- [j1]Johannes Neugebauer, Markus Reiher, Carsten Kind, Bernd A. Hess:
Quantum chemical calculation of vibrational spectra of large molecules - Raman and IR spectra for Buckminsterfullerene. J. Comput. Chem. 23(9): 895-910 (2002)
Coauthor Index
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