Nickel supported on nitrogen-doped carbon nanotubes as hydrogen oxidation reaction catalyst in alkaline electrolyte Z Zhuang, SA Giles, J Zheng, GR Jenness, S Caratzoulas, DG Vlachos, ... Nature communications 7 (1), 10141, 2016 | 443 | 2016 |
Mechanistic insights into metal Lewis acid-mediated catalytic transfer hydrogenation of furfural to 2-methylfuran MJ Gilkey, P Panagiotopoulou, AV Mironenko, GR Jenness, DG Vlachos, ... Acs Catalysis 5 (7), 3988-3994, 2015 | 275 | 2015 |
A second generation distributed point polarizable water model R Kumar, FF Wang, GR Jenness, KD Jordan The Journal of chemical physics 132 (1), 2010 | 150 | 2010 |
Benchmark calculations of water–acene interaction energies: Extrapolation to the water–graphene limit and assessment of dispersion–corrected DFT methods GR Jenness, O Karalti, KD Jordan Physical Chemistry Chemical Physics 12 (24), 6375-6381, 2010 | 127 | 2010 |
Site-Dependent Lewis Acidity of γ-Al2O3 and Its Impact on Ethanol Dehydration and Etherification GR Jenness, MA Christiansen, S Caratzoulas, DG Vlachos, RJ Gorte The Journal of Physical Chemistry C 118 (24), 12899-12907, 2014 | 100 | 2014 |
Fundamentals of C–O bond activation on metal oxide catalysts KA Goulas, AV Mironenko, GR Jenness, T Mazal, DG Vlachos Nature Catalysis 2 (3), 269-276, 2019 | 94 | 2019 |
DF-DFT-SAPT investigation of the interaction of a water molecule to coronene and dodecabenzocoronene: implications for the water− graphite interaction GR Jenness, KD Jordan The Journal of Physical Chemistry C 113 (23), 10242-10248, 2009 | 93 | 2009 |
Solventless C–C coupling of low carbon furanics to high carbon fuel precursors using an improved graphene oxide carbocatalyst S Dutta, A Bohre, W Zheng, GR Jenness, M Núñez, B Saha, DG Vlachos Acs Catalysis 7 (6), 3905-3915, 2017 | 83 | 2017 |
Assessment of the performance of common density functional methods for describing the interaction energies of (H2O) 6 clusters FF Wang, G Jenness, WA Al-Saidi, KD Jordan The Journal of chemical physics 132 (13), 2010 | 81 | 2010 |
Deactivation of Pt/Al2O3 during propane oxidation at low temperatures: Kinetic regimes and platinum oxide formation CP O’Brien, GR Jenness, H Dong, DG Vlachos, IC Lee Journal of catalysis 337, 122-132, 2016 | 70 | 2016 |
Unraveling the role of metal–support interactions in heterogeneous catalysis: Oxygenate selectivity in Fischer–Tropsch synthesis GR Jenness, JR Schmidt Acs Catalysis 3 (12), 2881-2890, 2013 | 66 | 2013 |
DFT Study of the Conversion of Furfuryl Alcohol to 2-Methylfuran on RuO2 (110) GR Jenness, DG Vlachos The Journal of Physical Chemistry C 119 (11), 5938-5945, 2015 | 46 | 2015 |
Distribution of open sites in Sn-Beta zeolite TR Josephson, GR Jenness, DG Vlachos, S Caratzoulas Microporous and Mesoporous Materials 245, 45-50, 2017 | 45 | 2017 |
The MAterials Simulation Toolkit (MAST) for atomistic modeling of defects and diffusion T Mayeshiba, H Wu, T Angsten, A Kaczmarowski, Z Song, G Jenness, ... Computational Materials Science 126, 90-102, 2017 | 41 | 2017 |
Ring‐Opening Reaction of Furfural and Tetrahydrofurfuryl Alcohol on Hydrogen‐Predosed Iridium (1 1 1) and Cobalt/Iridium (1 1 1) Surfaces W Wan, GR Jenness, K Xiong, DG Vlachos, JG Chen ChemCatChem 9 (9), 1701-1707, 2017 | 40 | 2017 |
Reaction pathways and intermediates in selective ring opening of biomass-derived heterocyclic compounds by iridium GR Jenness, W Wan, JG Chen, DG Vlachos ACS Catalysis 6 (10), 7002-7009, 2016 | 40 | 2016 |
Green MIP-202 (Zr) catalyst: degradation and thermally robust biomimetic sensing of nerve agents SS Sandhu, YG Kotagiri, PUAI Fernando I, M Kalaj, N Tostado, ... Journal of the American Chemical Society 143 (43), 18261-18271, 2021 | 36 | 2021 |
Understanding and reducing deleterious defects in the metastable alloy GaAsBi G Luo, S Yang, GR Jenness, Z Song, TF Kuech, D Morgan NPG Asia Materials 9 (1), e345-e345, 2017 | 33 | 2017 |
Evaluation of theoretical approaches for describing the interaction of water with linear acenes GR Jenness, O Karalti, WA Al-Saidi, KD Jordan The Journal of Physical Chemistry A 115 (23), 5955-5964, 2011 | 29 | 2011 |
Decoupling the electronic, geometric and interfacial contributions to support effects in heterogeneous catalysis ED Hermes, GR Jenness, JR Schmidt Molecular simulation 41 (1-3), 123-133, 2015 | 24 | 2015 |