| Karl Grubmayr | Organic Chemistry | | 1975 | 1978 | Heinz Falk (grad student) |
| Tarek A. Salama | | | 2002 | 2003 | Heinz Falk (post-doc) |
| Wolfgang Buchberger | | | | | Karl Winsauer (grad student), Paul Haddad (post-doc) |
| Atef Amer | | | | 1998 | Heinz Falk (post-doc) |
| Mario Alva-Astudillo | | | | 2002 | Heinz Falk (post-doc) |
| Abd-el-Wareth Sarhan | | | | 1998 | Heinz Falk (post-doc) |
| William Kurtin | | | | 1990 | Heinz Falk (research scientist) |
| Shen Liang | Bioinformatics | | 2004 | 2006 | Norbert Müller (grad student) |
| Ji Hong-Fang | Bioinformatics | | 2004 | 2006 | Norbert Müller (grad student) |
| Josep Ribo | | | | 1976 | Heinz Falk (post-doc) |
| Christoph Etzlstorfer | Computational Chemistry | | 1991 | 1993 | Heinz Falk (grad student) |
| Wolfgang Schöfberger | | Institut für Anorganische Chemie | 2005 | 2008 | Norbert Müller (post-doc), Günther Knör (post-doc) |
| Stefan Schwarzinger | | | 1997 | 1999 | Norbert Müller (grad student) |
| Norbert Müller | NMR, Proteins, Molecular Modelling, Biological Chemistry, Physical Organic Chemistry, Biophysics | | 2007 | 2018 | Heinz Falk (grad student), Christoph Etzlstorfer (collaborator), Mario Waser (collaborator) |
| Mario Waser | Stereochemistry | | 2006 | 2007 | Heinz Falk (grad student), Alois Fürstner (post-doc) |
| Reinhard Wimmer | Chemistry, Biotechnology, NMR | | 1994 | 1997 | Norbert Müller (grad student) |
| Alexej Jerschow | NMR | | 1995 | 1997 | Norbert Müller (grad student) |
| Pravat Mandal | | | 1999 | 2000 | Norbert Müller (post-doc) |
| Perunthiruthy Madhu | | | 1999 | 2001 | Norbert Müller (post-doc) |
| Vilko Smrecki | | | 2004 | 2005 | Norbert Müller (post-doc) |
| Lukas Trantirek | | | 2004 | 2005 | Norbert Müller (post-doc) |
| Rita Grandori | | | 1999 | 2005 | Norbert Müller (post-doc) |
| Qingqi Chen | Medicinal chemistry, drug synthesis | | 1993 | 1995 | Heinz Falk (post-doc) |
| Heinz Falk | Organic Chemistry, Photochemistry, Natural Products | | | | |
| Sabine Hild | | | | | |
| Ian Teasdale | polymer chemistry | | | | |
| V.N. Sivanandam | | | 2003 | 2006 | Norbert Müller (grad student) |
| Erika Ponzini | | | 2015 | 2018 | Norbert Müller (grad student) |
| Martin Nausner | | | 2008 | 2012 | Norbert Müller (grad student) |
| Michaela Hornicakova | | | 2009 | 2013 | Norbert Müller (grad student) |
| Victor Rodin | | | 2014 | 2017 | Norbert Müller (research scientist) |
| Christian W. Klampfl | Analytical Chemistry | Analytical Chemistry | | | Wolfgang Buchberger (grad student) |
| Frans A.A. Mulder | Structural biology, NMR spectroscopy, protein biophysics, dynamics of biomolecules, protein electrostatics | | | | |
| Judith Schlagnitweit | | Institut für Organische Chemie | 2008 | 2012 | Norbert Müller (grad student) |
| Matthias Bechmann | | | | | |
| Uwe Rinner | Total Synthesis, Natural Products, Biocatalysis | | | | |
| Adriana Rathner | | Institute odf Organic Chemistry | 2013 | 2018 | Norbert Müller (grad student) |
| Karl Winsauer | | | | | |
| Petr Rathner | | Institute of Organic Chemistry | 2014 | 2019 | Norbert Müller (grad student) |
| Maria Bräuer | | Institute of Organic Chemistry | 2013 | 2017 | Norbert Müller (grad student) |
| Gerhard Zuckerstätter | | Institute of organic chemistry | 2006 | 2008 | Norbert Müller (grad student) |
| Kousik Chandra | | Institute of Organic Chemistry | 2012 | 2015 | Norbert Müller (post-doc) |