CO Oxidation Mechanisms on CoOx-Pt Thin Films H Kersell, Z Hooshmand, G Yan, D Le, H Nguyen, B Eren, CH Wu, ... Journal of the American Chemical Society 142 (18), 8312-8322, 2020 | 46 | 2020 |
CO adsorption on Pd (111) at 0.5 ML: A first principles study Z Hooshmand, D Le, TS Rahman Surface Science 655, 7-11, 2017 | 18 | 2017 |
pH-Induced Surface Modification of Atomically Precise Silver Nanoclusters: An Approach for Tunable Optical and Electronic Properties LG AbdulHalim, Z Hooshmand, MR Parida, SM Aly, D Le, X Zhang, ... Inorganic Chemistry 55 (21), 11522-11528, 2016 | 17 | 2016 |
Methoxy Formation Induced Defects on MoS2 PE Evans, HK Jeong, Z Hooshmand, D Le, TB Rawal, S Naghibi Alvillar, ... The Journal of Physical Chemistry C 122 (18), 10042-10049, 2018 | 15 | 2018 |
Characteristics of Single-Molecule Magnet Dimers ([Mn3]2) on Graphene and h-BN RS Berkley, Z Hooshmand, T Jiang, D Le, AF Hebard, TS Rahman The Journal of Physical Chemistry C 124 (51), 28186-28200, 2020 | 11 | 2020 |
Downward quantum learning from element 118: Automated generation of Fermi–Löwdin orbitals for all atoms MR Pederson, AI Johnson, KPK Withanage, S Dolma, GB Flores, ... The Journal of Chemical Physics 158 (8), 2023 | 9 | 2023 |
Growth of Graphene Nanoflakes/h‐BN Heterostructures K Küster, Z Hooshmand, DP Rosenblatt, S Koslowski, D Le, U Starke, ... Advanced Materials Interfaces 8 (20), 2100766, 2021 | 8 | 2021 |
Use of FLOSIC for understanding anion-solvent interactions MR Pederson, KPK Withanage, Z Hooshmand, AI Johnson, T Baruah, ... The Journal of Chemical Physics 159 (15), 2023 | 7 | 2023 |
The importance of frontier orbital symmetry in the adsorption of diiodobenzene on MoS2 (0001) PE Evans, Z Hooshmand, TS Rahman, PA Dowben Surface Science 702, 121708, 2020 | 7 | 2020 |
Electromagnetic control of spin ordered Mn 3 qubits: a density functional study Z Hooshmand, MR Pederson Physical Chemistry Chemical Physics 22 (47), 27547-27553, 2020 | 7 | 2020 |
Electronic and Magnetic Signatures of Low-Lying Spin-Flip Excitonic States of Mn 12 O 12-Acetate K Dema, Z Hooshmand, M Pederson Available at SSRN 3830022, 2021 | 6 | 2021 |
Acceleration without disruption: DFT software as a service F Ju, X Wei, L Huang, AJ Jenkins, L Xia, J Zhang, J Zhu, H Yang, B Shao, ... Journal of Chemical Theory and Computation 20 (24), 10838-10851, 2024 | 5 | 2024 |
Electronic control of strong magnetic anisotropy in Co-based single-molecule magnets Z Hooshmand, JX Yu, HP Cheng, MR Pederson Physical Review B 104 (13), 134411, 2021 | 5 | 2021 |
Toward alcohol synthesis from CO hydrogenation on Cu (111)-supported MoS2–predictions from DFT+ KMC TB Rawal, D Le, Z Hooshmand, TS Rahman The Journal of Chemical Physics 154 (17), 2021 | 4 | 2021 |
Orbital dependent complications for close vs well-separated electrons in diradicals Z Hooshmand, JG Bravo Flores, MR Pederson The Journal of Chemical Physics 159 (23), 2023 | 3 | 2023 |
Symmetry and Group Theory for Density-Functional Methods K Khandal, C Shahi, K Dema, Z Hooshmand, M Pederson APS March Meeting Abstracts 2021, H71. 184, 2021 | 1 | 2021 |
Self-interaction correction for Solvated Anions K Withanage, Y Yamamoto, PB Shukla, A Johnson, ... APS March Meeting Abstracts 2023, N17. 013, 2023 | | 2023 |
Ozone: A failure of FLOSIC or standard DFT-like symmetry-breaking? Z Hooshmand Gharehbagh, M Pederson APS March Meeting Abstracts 2023, G17. 002, 2023 | | 2023 |
Spin-coupling induced anisotropy swings in ligated Co2 dimers Z Hooshmand, JX Yu, HP Cheng, M Pederson APS March Meeting Abstracts 2022, Y53. 004, 2022 | | 2022 |
Spin Flip Excitonic States in Molecular Magnets K Dema, M Pederson, Z Hooshmand APS March Meeting Abstracts 2022, W53. 005, 2022 | | 2022 |