| 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 | 222 | 2016 |
| 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 | 113 | 2012 |
| 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 | 102 | 2013 |
| 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 | 89 | 2017 |
| 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 | 58 | 2012 |
| 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 | 50 | 2011 |
| 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 | 49 | 2012 |
| 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 | 41 | 2016 |
| 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 | 33 | 2017 |
| 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 | 32 | 2013 |
| 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 | 30 | 2014 |
| 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 | 29 | 2016 |
| 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 | 27 | 2012 |
| 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 | 26 | 2009 |
| 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 | 25 | 2015 |
| 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 | 22 | 2015 |
| 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 | 19 | 2014 |
| 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 | 18 | 2014 |
Philippe SautetProfessor, University of California, Los AngelesVerified email at ucla.edu
