Publications

Found 7 results
Filters: Author is Goeltl, F.  [Clear All Filters]
2019
Goeltl F., Love A.M, Schuenzel S.C, Wolf P., Mavirkakis M., Hermans I..  2019.  Computational Description of Key Spectroscopic Features of Zeolite SSZ-13. Physical Chemistry Chemical Physics. 21:19065-19075.
2017
Goeltl F., Mueller P., Uchupalanun P., Sautet P., Hermans I..  2017.  Developing a Descriptor-Based Approach for CO and NO Adsorption Strength to Transition Metal Sites in Zeolites. Chem. Mater.. 29(15):6434-6444.
Goeltl F., Love A.M, Hermans I..  2017.  Developing a Thermodynamic Model for the Interactions Between Water and Cu in the Zeolite SSZ-13. The Journal of Physical Chemistry C. 121(11):6160-6169.
Ipek B., Wulfers M.J, Kim H., Goeltl F., Hermans I., Smith J.P, Booksh K.S, Brown C.M, Lobo R.P.  2017.  Formation and Reactivity of Cu2O2 and Cu2O clusters in Cu-SSZ-13 and Cu-SSZ-39. ACS Catalysis. 7(6):4291-4303.
2016
Goeltl F., Michel C., Andikopoulos P., Love A.M, Hafner J., Hermans I., Sautet P..  2016.  Computationally Exploring Confinement Effects in the Methane-to-Methanol Conversion Over Iron-Oxo Centers in Zeolites. ACS Catalysis. 6:8404–8409.
2015
Goeltl F., Sautet P., Hermans I.  2015.  Can Dynamics Be Responsible for the Complex Multi-Peak Infrared Spectra of NO Adsorbed to Cu(II)-Sites in Zeolites? Angew. Chem. Int. Ed.. 54(27):7799-7804.
Conrad S., Verel R., Hammond C., Wolf P., Goeltl F., Hermans I.  2015.  Silica-Grafted SnIV-Catalysts in Hydrogen-Transfer Reactions. ChemCatChem. 7(20):3270-3278.