Florian Goeltl
Title
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Year
Selective oxidative dehydrogenation of propane to propene using boron nitride catalysts
JT Grant, CA Carrero, F Goeltl, J Venegas, P Mueller, SP Burt, SE Specht, ...
Science 354 (6319), 1570-1573, 2016
2222016
Van der Waals interactions between hydrocarbon molecules and zeolites: Periodic calculations at different levels of theory, from density functional theory to the random phase …
F Göltl, A Grüneis, T Bučko, J Hafner
The Journal of chemical physics 137 (11), 114111, 2012
1132012
What makes copper-exchanged SSZ-13 zeolite efficient at cleaning car exhaust gases?
F Göltl, RE Bulo, J Hafner, P Sautet
The Journal of Physical Chemistry Letters 4 (14), 2244-2249, 2013
1022013
Formation of [Cu2O2]2+ and [Cu2O]2+ toward C–H Bond Activation in Cu-SSZ-13 and Cu-SSZ-39
B Ipek, MJ Wulfers, H Kim, F Göltl, I Hermans, JP Smith, KS Booksh, ...
ACS Catalysis 7 (7), 4291-4303, 2017
892017
Structure and properties of metal-exchanged zeolites studied using gradient-corrected and hybrid functionals. I. Structure and energetics
F Göltl, J Hafner
The Journal of chemical physics 136 (6), 064501, 2012
582012
Structure and properties of metal-exchanged zeolites studied using gradient-corrected and hybrid functionals. II. Electronic structure and photoluminescence spectra
F Göltl, J Hafner
The Journal of chemical physics 136 (6), 064502, 2012
54*2012
Alkane adsorption in Na-exchanged chabazite: The influence of dispersion forces
F Göltl, J Hafner
The Journal of chemical physics 134 (6), 064102, 2011
502011
Structure and properties of metal-exchanged zeolites studied using gradient-corrected and hybrid functionals. II. Electronic structure and photoluminescence spectra
F Göltl, J Hafner
The Journal of chemical physics 136 (6), 064502, 2012
49*2012
Structure and properties of metal-exchanged zeolites studied using gradient-corrected and hybrid functionals. III. Energetics and vibrational spectroscopy of adsorbates
F Göltl, J Hafner
The Journal of chemical physics 136 (6), 064503, 2012
492012
Computationally exploring confinement effects in the methane-to-methanol conversion over iron-oxo centers in zeolites
F Goltl, C Michel, PC Andrikopoulos, AM Love, J Hafner, I Hermans, ...
ACS Catalysis 6 (12), 8404-8409, 2016
412016
Synthesis gas conversion over Rh-based catalysts promoted by Fe and Mn
Y Liu, F Göeltl, I Ro, MR Ball, C Sener, IB Aragăo, D Zanchet, GW Huber, ...
ACS Catalysis 7 (7), 4550-4563, 2017
332017
Modelling the adsorption of short alkanes in protonated chabazite: The impact of dispersion forces and temperature
F Göltl, J Hafner
Microporous and mesoporous materials 166, 176-184, 2013
322013
Effect of Temperature on the Adsorption of Short Alkanes in the Zeolite SSZ-13 Adapting Adsorption Isotherms to Microporous Materials
T Jiang, F Göltl, RE Bulo, P Sautet
Acs Catalysis 4 (7), 2351-2358, 2014
302014
The impact of finite temperature on the coordination of Cu cations in the zeolite SSZ-13
F Göltl, P Sautet, I Hermans
Catalysis Today 267, 41-46, 2016
292016
Early stages of water/hydroxyl phase generation at transition metal surfaces–synergetic adsorption and O–H bond dissociation assistance
C Michel, F Göltl, P Sautet
Physical Chemistry Chemical Physics 14 (44), 15286-15290, 2012
272012
Application of hybrid functionals to the modeling of NO adsorption on Cu− SAPO-34 and Co− SAPO-34: a periodic DFT study
EL Uzunova, F Göltl, G Kresse, J Hafner
The Journal of Physical Chemistry C 113 (13), 5274-5291, 2009
262009
Can Dynamics Be Responsible for the Complex Multipeak Infrared Spectra of NO Adsorbed to Copper (II) Sites in Zeolites?
F Göltl, P Sautet, I Hermans
Angewandte Chemie International Edition 54 (27), 7799-7804, 2015
252015
Silica‐Grafted SnIV Catalysts in Hydrogen‐Transfer Reactions
S Conrad, R Verel, C Hammond, P Wolf, F Göltl, I Hermans
ChemCatChem 7 (20), 3270-3278, 2015
222015
Importance of a Nonlocal Description of Electron–Electron Interactions in Modeling the Dissociative Adsorption of H2 on Cu(100)
F Göltl, C Houriez, M Guitou, G Chambaud, P Sautet
The Journal of Physical Chemistry C 118 (10), 5374-5382, 2014
192014
Modeling the adsorption of short alkanes in the zeolite SSZ-13 using “van der Waals” DFT exchange correlation functionals: understanding the advantages and limitations of such …
F Göltl, P Sautet
The Journal of Chemical Physics 140 (15), 154105, 2014
182014
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Articles 1–20