Dr. Philipp Ectors



Organisation


Lehrstuhl für Theoretische Chemie
Professur für Theoretische Chemie
Computer-Chemie-Centrum


Publications (Download BibTeX)


Ectors, P., & Zahn, D. (2019). Benchmarking and optimization of molecular simulation models of zinc dialkyldithiophosphate and calcium sulfonate oil additives. Journal of Molecular Modeling, 25(4). https://dx.doi.org/10.1007/s00894-019-3980-0
Kühn, H., Wolf, K., Boehm, F., Glaudo, M., Gebhardt, L., Ectors, P.,... Kremer, A. (2019). Identification of novel MRGX2-agonists triggering mast cell degranulation and potentially mediating drug-induced pruritus. In JOURNAL DER DEUTSCHEN DERMATOLOGISCHEN GESELLSCHAFT (pp. 8-8). HOBOKEN: WILEY.
Martin, T., Niemietz, P., Greim, D., Ectors, P., Senker, J., Zahn, D., & Breu, J. (2017). Fundamental theoretical and practical investigations of the polymorph formation of small amphiphilic molecules, their co-crystals and salts. Zeitschrift für Kristallographie, 232(55-67). https://dx.doi.org/10.1515/zkri-2016-1977
Ectors, P., Duchstein, P., & Zahn, D. (2015). From oligomers towards a racemic crystal: molecular simulation of DL-norleucine crystal nucleation from solution. Crystengcomm, 17(36), 6884-6889. https://dx.doi.org/10.1039/C4CE02078B
Ectors, P., Sae-Tang, W., Chatchawalsaisin, J., Zahn, D., & Anwar, J. (2015). The Molecular Mechanism of α-Resorcinol's Asymmetric Crystal Growth from the Melt. Crystal Growth & Design, 15(8), 4026-4031. https://dx.doi.org/10.1021/acs.cgd.5b00654
Ectors, P., Anwar, J., & Zahn, D. (2015). Two-Step Nucleation Rather than Self-Poisoning: An Unexpected Mechanism of Asymmetrical Molecular Crystal Growth. Crystal Growth & Design, 15(10), 5118-5123. https://dx.doi.org/10.1021/acs.cgd.5b01082
Ectors, P., Duchstein, P., & Zahn, D. (2014). Nucleation Mechanisms of a Polymorphic Molecular Crystal: Solvent-Dependent Structural Evolution of Benzamide Aggregates. Crystal Growth & Design, 14(6), 2972-2976. https://dx.doi.org/10.1021/cg500247c
Ectors, P., & Zahn, D. (2013). Analysis of the molecular interactions governing the polymorphism of benzamide -- a guide to syntheses? Physical Chemistry Chemical Physics, 15(23), 9219-9222. https://dx.doi.org/10.1039/c3cp44279a
Ectors, P., Ectors, D., & Zahn, D. (2013). Structure and interactions in benzamide molecular crystals. Molecular Simulation, 39(13), 1079-1083. https://dx.doi.org/10.1080/08927022.2013.794274
Butterhof, C., Martin, T., Ectors, P., Zahn, D., Niemietz, P., Senker, J.,... Breu, J. (2012). Thermoanalytical Evidence of Metastable Molecular Defects in Form I of Benzamide. Crystal Growth & Design, 12(11), 5365-5372. https://dx.doi.org/10.1021/cg3009706

Last updated on 2017-29-01 at 04:05