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Peer-Reviewed Journals

17. The interaction of a platinated single strand oligonucleotide and the C-terminal zinc finger of the HIVNCp7
S. Quintal, A. Viegas, S. Erhardt, E. Cabrita and N. Farrell
Biochemistry 2012, 51 (8), 1752–1761 abstract (new tab)

16. Indole based cyclooxygenase inhibitors: Synthesis, biological evaluation, docking and NMR screening
M. S. Estevão, L. R. Carvalho, E. Fernandes, J. C. Manso, E. J. Cabrita, S. Erhardt, M. M. B. Marques
Eur. J. Med. Chem. 2012, 54, 823–833 abstract (new tab)

15. An Experimental and Computational Investigation of C-N Bond Activation in Ruthenium N-Heterocyclic Carbene Complexes
L. J. L. Häller, M. J. Page, S. Erhardt, S. A. Macgregor, M. F. Mahon, M. A. Naser, A. Vélez, M. K. Whittlesey
J. Am. Chem. Soc., 2010, 132, 18408–18416 abstract (new tab)

14. Bonding situation and stability of η1- and η6-bonded heteroarene complexes M(η1-EC5H5)6 and M(η6-EC5H5)2 (M=Cr, Mo, W; EC5H5, E = N - Bi)
S. Erhardt, G. Frenking
J. Organomet. Chem., 2009, 694, 1091–1100 abstract (new tab)

13. Competing C-F Activation Pathways in the Reaction of Pt(0) with Fluoropyridines: Phosphine-Assistance versus Oxidative Addition
A. Nova Flores, S. Erhardt, N. A. Jasim, R. N. Perutz, S. A. Macgregor, J. E. McGrady, A. C. Whitwood
J. Am. Chem. Soc., 2008, 130, 15499–15511 abstract (new tab)

12. Computational Study of the Reaction of C6F6 with [IrMe(PEt3)3]: Identification of a Phosphine-Assisted C-F Activation Pathway via a Metallophosphorane Intermediate.
S. Erhardt and S. A. Macgregor
J. Am. Chem. Soc., 2008, 130, 15490–15498 abstract (new tab)

11. Mechanisms of Catalyst Poisoning in Palladium-Catalyzed Cyanation of Haloarenes. Remarkably Facile C-N Bond Activation in the [(Ph3P)4Pd]/[Bu4N]+CN- System
S. Erhardt, V. V. Grushin, A. H. Kilpatrick, S. A. Macgregor, W. J. Marshall, D. C. Roe
J. Am. Chem. Soc. 2008; 130, 4828–4845 abstract (new tab)

10. Model Studies of β-Scission Ring-Opening Reactions of Cyclohexyloxy Radicals: Application to Thermal Rearrangements of Dispiro-1,2,4-trioxanes
S. Erhardt, S. A. Macgregor, K. J. McCullough, K. Savill and B. J. Taylor
Organic Letters, 2007, 9, 5569–5572 abstract (new tab)

9. The Mechanism of Reduction and Metallation of para Carboranes: the Missing 13-Vertex MC2B10 Isomer
S. Zlatogorsky, M. J. Edie, D. Ellis, S. Erhardt, M. E. Lopez, S. A. Macgregor, G. M. Rosair and A. J. Welch
Angew. Chem. Int. Ed. 2007, 46, 6706–6709 abstract (new tab)

8. The Conformations of 13-Vertex ML2C2B10 Metallacarboranes: Experimental and Computational Studies
K. J. Dalby, D. Ellis; S. Erhardt, R. D. McIntosh, S. A. Macgregor, K. Rae, G. M. Rosair, V. Settels, A. J. Welch, B. E. Hodson, T. D. McGrath and F. G. A. Stone
J. Am. Chem. Soc. 2007, 129, 3302–3314 abstract (new tab)

7. A Challenge to Chemical Intuition: Donor-Acceptor Interactions in H3B-L and H2B+-L
(L = CO; EC5H5, E = N - Bi) S. Erhardt and G. Frenking
Chemistry - A European Journal 2006, 12, 4620–4629 abstract (new tab)

6. A Water Sluice is Generated in the Active Site of Bovine Lens Leucine Aminopeptidase
S. Erhardt, E. Jaime and J. Weston
J. Am. Chem. Soc. 2005 127, 3654–3655 abstract (new tab)

5. Aromatic Boron Wheels With More Than One Carbon Atom in the Center: C2B8, C3B93+ and C5B11+
S. Erhardt, G. Frenking, Z. Chen and P. v.R. Schleyer
Angew. Chem. Int. Ed. 2005 44, 1078–1082 abstract (new tab)

4. Torsional profiles of protonated and metal coordinated 2,2'-bipyridine
U.-W. Grummt and S. Erhardt
Theochem - J. Mol. Struct. 2004, 685, 133–137 abstract (new tab)

3. Metal Mediated Reactions Modeled after Nature
S. Diekmann, J. Weston, E. Anders, W. Boland, B. Schönecker, T. Hettmann, J. von Langen, S. Erhardt, M. Mauksch, M. Bräuer, C. Beckmann, M. Rost, P. Sperling and E. Heinz
Rev. Mol. Biotech. 2002, 90, 73–94 abstract (new tab)

2. Development of a Working Model of the Active Site in Bovine Lens Leucine Aminopeptidase: A Density Functional Investigation
S. Erhardt and J. Weston
ChemBioChem 2002, 3, 101–104 abstract (new tab)

1. Limitations of the Sum-Over-States Approach to Second-Order all-trans-1,3,5,7-Octatetraene
A. H. Goeller, S. Erhardt, and U.-W. Grummt
Theochem - J. Mol. Struct. 2002, 585, 143–158 abstract (new tab)



Book chapter

Quantum chemical calculations of transition metal complexes
S. Erhardt, G. Frenking in High Performance Computing in Science and Engineering'03, Springer Berlin, 2003


Other Publications

2000: Theoretical Investigations on the Nitric Oxide Synthesis in Mammalian Cell
S. Erhardt, Honours Project, Dalhousie University, Halifax Canada

2002: Bimetallic Reaction Mechanism of Leucine Aminopeptidase
S. Erhardt, Diploma Thesis, Friedrich-Schiller University, Jena, Germany

2005: The Ambident Ligand Properties of Group 15 Heteroarenes in Transition Metal Complexes
S. Erhardt, PhD Thesis, Philipps University, Marburg, Germany