| Prediction of bond dissociation energies/heats of formation for diatomic transition metal compounds: CCSD (T) works Z Fang, M Vasiliu, KA Peterson, DA Dixon Journal of chemical theory and computation 13 (3), 1057-1066, 2017 | 109 | 2017 |
| Ethanol Conversion on Cyclic (MO3)3 (M = Mo, W) Clusters Z Li, Z Fang, MS Kelley, BD Kay, R Rousseau, Z Dohnalek, DA Dixon The Journal of Physical Chemistry C 118 (9), 4869-4877, 2014 | 77 | 2014 |
| Computational Study of the Hydrolysis Reactions of the Ground and First Excited Triplet States of Small TiO2 Nanoclusters TH Wang, Z Fang, NW Gist, S Li, DA Dixon, JL Gole The Journal of Physical Chemistry C 115 (19), 9344-9360, 2011 | 67 | 2011 |
| Structural and Electronic Property Study of (ZnO)n, n ≤ 168: Transition from Zinc Oxide Molecular Clusters to Ultrasmall Nanoparticles M Chen, TP Straatsma, Z Fang, DA Dixon The Journal of Physical Chemistry C 120 (36), 20400-20418, 2016 | 60 | 2016 |
| Use of Improved Orbitals for CCSD(T) Calculations for Predicting Heats of Formation of Group IV and Group VI Metal Oxide Monomers and Dimers and UCl6 Z Fang, Z Lee, KA Peterson, DA Dixon Journal of chemical theory and computation 12 (8), 3583-3592, 2016 | 56 | 2016 |
| Computational Study of H2 and O2 Production from Water Splitting by Small (MO2)n Clusters (M = Ti, Zr, Hf) Z Fang, DA Dixon The Journal of Physical Chemistry A 117 (16), 3539-3555, 2013 | 55 | 2013 |
| Oxidation, Reduction, and Condensation of Alcohols over (MO3)3 (M = Mo, W) Nanoclusters Z Fang, Z Li, MS Kelley, BD Kay, S Li, JM Hennigan, R Rousseau, ... The Journal of Physical Chemistry C 118 (39), 22620-22634, 2014 | 42 | 2014 |
| Computational Study of the Hydrolysis Reactions of Small MO2 (M = Zr and Hf) Nanoclusters with Water Z Fang, MD Outlaw, KK Smith, NW Gist, S Li, DA Dixon, JL Gole The Journal of Physical Chemistry C 116 (15), 8475-8492, 2012 | 40 | 2012 |
| Computational Study of Ethanol Conversion on Al8O12 as a Model for γ-Al2O3 Z Fang, Y Wang, DA Dixon The Journal of Physical Chemistry C 119 (41), 23413-23421, 2015 | 39 | 2015 |
| Hydrolysis of ZrCl4 and HfCl4: The Initial Steps in the High-Temperature Oxidation of Metal Chlorides to Produce ZrO2 and HfO2 Z Fang, DA Dixon The Journal of Physical Chemistry C 117 (15), 7459-7474, 2013 | 38 | 2013 |
| Benchmark calculations of Energetic properties of Groups 4 and 6 transition metal oxide nanoclusters Including comparison to density functional theory Z Fang, J Both, S Li, S Yue, E Apra, M Keceli, AF Wagner, DA Dixon Journal of chemical theory and computation 12 (8), 3689-3710, 2016 | 36 | 2016 |
| Formation of Surface Impurities on Lithium–Nickel–Manganese–Cobalt Oxides in the Presence of CO2 and H2O Z Fang, MP Confer, Y Wang, Q Wang, MR Kunz, EJ Dufek, B Liaw, ... Journal of the American Chemical Society 143 (27), 10261-10274, 2021 | 29 | 2021 |
| Properties of cerium hydroxides from matrix infrared spectra and electronic structure calculations Z Fang, KS Thanthiriwatte, DA Dixon, L Andrews, X Wang Inorganic Chemistry 55 (4), 1702-1714, 2016 | 27 | 2016 |
| A comparison of solid electrolyte interphase formation and evolution on highly oriented pyrolytic and disordered graphite negative electrodes in lithium‐ion batteries H Zhu, JA Russell, Z Fang, P Barnes, L Li, CM Efaw, A Muenzer, J May, ... Small 17 (52), 2105292, 2021 | 26 | 2021 |
| The surprising oxidation state of fumed silica and the nature of water binding to silicon oxides and hydroxides TH Wang, JL Gole, MG White, C Watkins, SC Street, Z Fang, DA Dixon Chemical Physics Letters 501 (4-6), 159-165, 2011 | 26 | 2011 |
| Reactions of laser-ablated U atoms with (CN) 2: infrared spectra and electronic structure calculations of UNC, U (NC) 2, and U (NC) 4 in solid argon Y Gong, L Andrews, BK Liebov, Z Fang, EB Garner III, DA Dixon Chemical Communications 51 (18), 3899-3902, 2015 | 23 | 2015 |
| Accumulation dynamics as a new tool for catalyst discrimination: an example from ammonia decomposition Y Wang, MR Kunz, Z Fang, G Yablonsky, R Fushimi Industrial & Engineering Chemistry Research 58 (24), 10238-10248, 2019 | 19 | 2019 |
| Data driven reaction mechanism estimation via transient kinetics and machine learning MR Kunz, A Yonge, Z Fang, R Batchu, AJ Medford, D Constales, ... Chemical Engineering Journal 420, 129610, 2021 | 18 | 2021 |
| Formation and Characterization of Homoleptic Thorium Isocyanide Complexes X Chen, Q Li, Y Gong, L Andrews, BK Liebov, Z Fang, DA Dixon Inorganic Chemistry 56 (9), 5060-5068, 2017 | 18 | 2017 |
| Structures and Properties of the Products of the Reaction of Lanthanide Atoms with H2O: Dominance of the +II Oxidation State TC Mikulas, M Chen, Z Fang, KA Peterson, L Andrews, DA Dixon The Journal of Physical Chemistry A 120 (5), 793-804, 2016 | 18 | 2016 |
