| 2007 |
|---|
| 4 | EE | Stephan Raub,
Christel M. Marian:
Quantum chemical investigation of hydrogen-bond strengths and partition into donor and acceptor contributions.
Journal of Computational Chemistry 28(9): 1503-1515 (2007) |
| 2006 |
|---|
| 3 | EE | Andreas Kämper,
Joannis Apostolakis,
Matthias Rarey,
Christel M. Marian,
Thomas Lengauer:
Fully Automated Flexible Docking of Ligands into Flexible Synthetic Receptors Using Forward and Inverse Docking Strategies.
Journal of Chemical Information and Modeling 46(2): 903-911 (2006) |
| 2002 |
|---|
| 2 | EE | Martin Kleinschmidt,
Jörg Tatchen,
Christel M. Marian:
Spin-orbit coupling of DFT/MRCI wavefunctions: Method, test calculations, and application to thiophene.
Journal of Computational Chemistry 23(8): 824-833 (2002) |
| 1998 |
|---|
| 1 | EE | Marcus Gastreich,
Christel M. Marian:
Ab initio prediction of 15N-NMR chemical shift in -boron nitride based on an analysis of connectivities.
Journal of Computational Chemistry 19(7): 716-725 (1998) |
