2006 |
5 | EE | Mihail Atanasov,
Peter Comba,
Bodo Martin,
Vera Müller,
Gopalan Rajaraman,
Heidi Rohwer,
Steffen Wunderlich:
DFT models for copper(II) bispidine complexes: Structures, stabilities, isomerism, spin distribution, and spectroscopy.
Journal of Computational Chemistry 27(12): 1263-1277 (2006) |
2002 |
4 | EE | Peter Comba,
Rainer Remenyi:
A new molecular mechanics force field for the oxidized form of blue copper proteins.
Journal of Computational Chemistry 23(7): 697-705 (2002) |
1999 |
3 | EE | Jessica Bartol,
Peter Comba,
Michael Melter,
Marc Zimmer:
Conformational searching of transition metal compounds.
Journal of Computational Chemistry 20(14): 1549-1558 (1999) |
2 | EE | Peter Comba,
Norbert Okon,
Rainer Remenyi:
Computation of cavity shapes, sizes, and plasticities.
Journal of Computational Chemistry 20(8): 781-785 (1999) |
1998 |
1 | EE | Johan E. Bol,
Christian Buning,
Peter Comba,
Jan Reedijk,
Marc Ströhle:
Molecular mechanics modeling of organic backbone of metal-free and coordinated ligands.
Journal of Computational Chemistry 19(5): 512-523 (1998) |