Barry D. Dunietz
Affiliations: | 2004-2012 | Department of Chemistry | University of Michigan, Ann Arbor, Ann Arbor, MI |
| 2012- | Kent State University, Kent, OH, United States |
Area:
Computational chemistry, quantum chemistryWebsite:
http://www.personal.kent.edu/~bdunietz/people.htmlGoogle:
"Barry Dunietz"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Uzi Kaldor | research assistant | 1994-1995 | Tel Aviv University | |
| Richard A. Friesner | grad student | 1995-2000 | Columbia | |
| (M. Phil & PhD: (a). Multi-configurational localized perturbation theory; (b). Biological applications of quantum chemistry methodologies) | ||||
Children
Sign in to add trainee| Ariela W Kaspi-Kaneti | grad student | Kent State Uniiversity | |
| Heidi Phillips Hendrickson | grad student | 2009-2015 | |
| Mousumi Das | post-doc | Michigan State | |
| Shaohui Zheng | post-doc | 2010-2012 | University of Michigan |
| Arun K. Manna | post-doc | 2012-2014 | Kent State |
| Alexander Schubert | post-doc | 2018 |
BETA: Related publications
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Publications
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| Chakravarty C, Saller MAC, Aksu H, et al. (2024) Anisotropic Dielectric Screened Range-Separated Hybrid Density Functional Theory Calculations of Charge Transfer States across an Anthracene-TCNQ Donor-Acceptor Interface. Journal of Chemical Theory and Computation. 20: 10751-10758 |
| Begam K, Aksu H, Dunietz BD. (2024) Antioxidative Triplet Excitation Energy Transfer in Bacterial Reaction Center Using a Screened Range Separated Hybrid Functional. The Journal of Physical Chemistry. B. 128: 4315-4324 |
| Schubert A, Bhandari S, Geva E, et al. (2023) A Computational Study of the Electronic Energy and Charge Transfer Rates and Pathways in the Tetraphenyldibenzoperiflanthene/Fullerene Interfacial Dyad. The Journal of Physical Chemistry Letters. 14: 9569-9583 |
| Jayawardhana AMDS, Bhandari S, Kaspi-Kaneti AW, et al. (2023) Visible light-activatable platinum(IV) prodrugs harnessing CD36 for ovarian cancer therapy. Dalton Transactions (Cambridge, England : 2003) |
| Tinnin J, Bhandari S, Zhang P, et al. (2022) Correlating Interfacial Charge Transfer Rates with Interfacial Molecular Structure in the Tetraphenyldibenzoperiflanthene/C Organic Photovoltaic System. The Journal of Physical Chemistry Letters. 763-769 |
| Chakravarty C, Aksu H, Maiti B, et al. (2021) Electronic Spectra of C Films Using Screened Range Separated Hybrid Functionals. The Journal of Physical Chemistry. A |
| Mulvihill E, Lenn KM, Gao X, et al. (2021) Simulating energy transfer dynamics in the Fenna-Matthews-Olson complex via the modified generalized quantum master equation. The Journal of Chemical Physics. 154: 204109 |
| Brian D, Liu Z, Dunietz BD, et al. (2021) Three-state harmonic models for photoinduced charge transfer. The Journal of Chemical Physics. 154: 174105 |
| Tinnin J, Aksu H, Tong Z, et al. (2021) CTRAMER: An open-source software package for correlating interfacial charge transfer rate constants with donor/acceptor geometries in organic photovoltaic materials. The Journal of Chemical Physics. 154: 214108 |
| Kaspi-Kaneti AW, Bhandari S, Schubert A, et al. (2020) Cyanide Bridged Platinum-Iron Complexes as Cisplatin Prodrug Systems: Design and Computational Study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry |