Dr. Matthias Hennemann



Organisationseinheit


Computer-Chemie-Centrum


Publikationen (Download BibTeX)

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Kriebel, M., Heßelmann, A., Hennemann, M., & Clark, T. (2019). Correction to: The Feynman dispersion correction for MNDO extended to F, Cl, Br and I (Journal of Molecular Modeling, (2019), 25, 6, (156), 10.1007/s00894-019-4038-z). Journal of Molecular Modeling, 25(9). https://dx.doi.org/10.1007/s00894-019-4142-0
Kriebel, M., Heßelmann, A., Hennemann, M., & Clark, T. (2019). The Feynman dispersion correction for MNDO extended to F, Cl, Br and I. Journal of Molecular Modeling, 25(6). https://dx.doi.org/10.1007/s00894-019-4038-z
Thomas, H.B., Hennemann, M., Kibies, P., Hoffgaard, F., Guessregen, S., Hessler, G.,... Clark, T. (2017). The hpCADD NDDO Hamiltonian: Parametrization. Journal of Chemical Information and Modeling, 57(8), 1907-1922. https://dx.doi.org/10.1021/acs.jcim.7b00080
Maia de Pádua, R., Meitinger, N., Hennemann, M., Schebitz, P., Waibel, R., Löber, S.,... Kreis, W. (2016). Spontaneous butenolide ring formation of pregnane-21-O-malonyl hemiesters under mild reaction conditions is facilitated by the 14β-hydroxy group present in all natural cardenolides. Tetrahedron, 72, 4556-4563. https://dx.doi.org/10.1016/j.tet.2016.06.024
Margraf, J., Hennemann, M., Meyer, B., & Clark, T. (2015). EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions. Journal of Molecular Modeling, 21(6). https://dx.doi.org/10.1007/s00894-015-2692-3
Hennemann, M., & Clark, T. (2014). EMPIRE: a highly parallel semiempirical molecular orbital program: 1: self-consistent field calculations. Journal of Molecular Modeling, 20(7), 2331. https://dx.doi.org/10.1007/s00894-014-2331-4
Wick, C., Hennemann, M., Stewart, J.J.P., & Clark, T. (2014). Self-consistent field convergence for proteins: a comparison of full and localized-molecular-orbital schemes. Journal of Molecular Modeling, 20(3), 2159. https://dx.doi.org/10.1007/s00894-014-2159-y
Jäger, C., Schmaltz, T., Novak, M., Khassanov, A., Vorobiev, A., Hennemann, M.,... Clark, T. (2013). Improving the Charge Transport in Self-Assembled Monolayer Field-Effect Transistors: From Theory to Devices. Journal of the American Chemical Society, 135(12), 4893-4900. https://dx.doi.org/10.1021/ja401320n
El Kerdawy, A., Güssregen, S., Matter, H., Hennemann, M., & Clark, T. (2013). Quantum Mechanics-Based Properties for 3D-QSAR. Journal of Chemical Information and Modeling, 53(6), 1486-1502. https://dx.doi.org/10.1021/ci400181b
Clark, T., Halik, M., Hennemann, M., & Jäger, C. (2013). Simulating ’Soft’ Electronic Devices.

Zuletzt aktualisiert 2016-13-05 um 05:24