Johannes Neugebauer

According to our database, Johannes Neugebauer authored at least 7 papers between 2002 and 2018.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2018

Serenity: A subsystem quantum chemistry program.

Jan P. Unsleber, Thomas Dresselhaus, Kevin Klahr, David Schnieders, Michael Böckers, Dennis Barton, Johannes Neugebauer

J. Comput. Chem., 2018

2017

Analytical gradients for subsystem density functional theory within the slater-function-based amsterdam density functional program.

Danny Schlüns, Mirko Franchini, Andreas W. Götz, Johannes Neugebauer, Christoph R. Jacob, Lucas Visscher

J. Comput. Chem., 2017

2012

MOVIPAC: Vibrational spectroscopy with a robust meta-program for massively parallel standard and inverse calculations.

Thomas Weymuth, Moritz P. Haag, Karin Kiewisch, Sandra Luber, Stephan Schenk, Christoph R. Jacob, Carmen Herrmann, Johannes Neugebauer, Markus Reiher

J. Comput. Chem., 2012

2008

A flexible implementation of frozen-density embedding for use in multilevel simulations.

Christoph R. Jacob, Johannes Neugebauer, Lucas Visscher

J. Comput. Chem., 2008

QM/MM vibrational mode tracking.

Carmen Herrmann, Johannes Neugebauer, Markus Reiher

J. Comput. Chem., 2008

2004

Vibrational center-ligand couplings in transition metal complexes.

Johannes Neugebauer, Markus Reiher

J. Comput. Chem., 2004

2002

Quantum chemical calculation of vibrational spectra of large molecules - Raman and IR spectra for Buckminsterfullerene.

Johannes Neugebauer, Markus Reiher, Carsten Kind, Bernd A. Hess

J. Comput. Chem., 2002