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Zahra Hooshmand
Zahra Hooshmand
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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
462020
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
182017
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
172016
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
152018
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
112020
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
92023
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
82021
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
72023
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
72020
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
72020
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
62021
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
52024
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
52021
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
42021
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
32023
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
12021
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
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