Barry D Dunietz

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 30

Top Venues

The journal of physical chemistry letters

The journal of physical chemistry. B

Journal of chemical theory and computation

The Journal of chemical physics

Kent State University

Columbia University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Kent State University Sep 1o 2016

United States

Associate Professor :: Chemistry

Education History

Columbia University

United States

PHD :: Chemistry

Publications

Alexander Schubert, Srijana Bhandari, Eitan Geva, Barry D Dunietz
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 (2023)
Sara Ansteatt, Brian Uthe, Bikash Mandal, Rachel S Gelfand, Barry D Dunietz, Matthew Pelton, Marcin Ptaszek
Engineering giant excitonic coupling in bioinspired, covalently bridged BODIPY dyads. Physical chemistry chemical physics : PCCP 25 (11) (2023)
Sara Ansteatt, Brian Uthe, Bikash Mandal, Rachel S Gelfand, Barry D Dunietz, Matthew Pelton, Marcin Ptaszek
Engineering giant excitonic coupling in bioinspired, covalently bridged BODIPY dyads. Physical chemistry chemical physics : PCCP (2023)
Amarasooriya M D S Jayawardhana, Srijana Bhandari, Ariela W Kaspi-Kaneti, Man Kshetri, Zihan Qiu, May Cheline, Hao Shen, Barry D Dunietz, Yao-Rong Zheng
Visible light-activatable platinum(IV) prodrugs harnessing CD36 for ovarian cancer therapy. Dalton transactions (Cambridge, England : 2003) (2023)
Sloane Evariste, Alexandra M Harrison, Sunandan Sarkar, Arnold L Rheingold, Barry D Dunietz, Joachim W Heinicke, Emalyn Delgado Rosario, Sungwoon Yoon, Thomas S Teets, John D Protasiewicz
Luminescent 1 H -1,3-benzazaphospholes. RSC advances 13 (1) (2022)
Bikash Mandal, Barry D Dunietz
Effects of Solvent Dielectric on Thermally Activated Delayed Fluorescence: A Predictive Computational Polarization Consistent Approach. The journal of physical chemistry. A 127 (1) (2022)
Sloane Evariste, Alexandra M Harrison, Sunandan Sarkar, Arnold L Rheingold, Barry D Dunietz, Joachim W Heinicke, Emalyn Delgado Rosario, Sungwoon Yoon, Thomas S Teets, John D Protasiewicz
Luminescent 1 H -1,3-benzazaphospholes. RSC advances 13 (1) (2022)
Bikash Mandal, Barry D Dunietz
Effects of Solvent Dielectric on Thermally Activated Delayed Fluorescence: A Predictive Computational Polarization Consistent Approach. The journal of physical chemistry. A (2022)
Jacob Tinnin, Srijana Bhandari, Pengzhi Zhang, Eitan Geva, Barry D Dunietz, Xiang Sun, Margaret S Cheung
Correlating Interfacial Charge Transfer Rates with Interfacial Molecular Structure in the Tetraphenyldibenzoperiflanthene/C 70 Organic Photovoltaic System. The journal of physical chemistry letters 13 (3) (2022)
Khadiza Begam, Lilian Cohen, Gil Goobes, Barry D Dunietz
Solvent Dependent Nuclear Magnetic Resonance Molecular Parameters Based on a Polarization Consistent Screened Range Separated Hybrid Density Functional Theory Framework. Journal of chemical theory and computation 18 (9) (2022)
Chandrima Chakravarty, Huseyin Aksu, Jessica A Martinez B, Pablo Ramos, Michele Pavanello, Barry D Dunietz
Role of Dielectric Screening in Calculating Excited States of Solvated Azobenzene: A Benchmark Study Comparing Quantum Embedding and Polarizable Continuum Model for Representing the Solvent. The journal of physical chemistry letters 13 (22) (2022)
Huseyin Aksu, Buddhadev Maiti, Marcin Ptaszek, Barry D Dunietz
Photoinduced charge transfer in Zn(II) and Au(III)-ligated symmetric and asymmetric bacteriochlorin dyads: A computational study. The Journal of chemical physics 153 (13) (2021)
Chandrima Chakravarty, Huseyin Aksu, Buddhadev Maiti, Barry D Dunietz
Electronic Spectra of C60 Films Using Screened Range Separated Hybrid Functionals. The journal of physical chemistry. A 125 (35) (2021)
Khadiza Begam, Srijana Bhandari, Buddhadev Maiti, Barry D Dunietz
Screened Range-Separated Hybrid Functional with Polarizable Continuum Model Overcomes Challenges in Describing Triplet Excitations in the Condensed Phase Using TDDFT. Journal of chemical theory and computation 16 (5) (2020)
Zhubin Hu, Zhengqing Tong, Margaret S Cheung, Barry D Dunietz, Eitan Geva, Xiang Sun
Photoinduced Charge Transfer Dynamics in the Carotenoid-Porphyrin-C60 Triad via the Linearized Semiclassical Nonequilibrium Fermi's Golden Rule. The journal of physical chemistry. B 124 (43) (2020)
Yin Song, Alexander Schubert, Xiao Liu, Srijana Bhandari, Stephen R Forrest, Barry D Dunietz, Eitan Geva, Jennifer P Ogilvie
Efficient Charge Generation via Hole Transfer in Dilute Organic Donor-Fullerene Blends. The journal of physical chemistry letters 11 (6) (2020)
Jaebeom Han, Pengzhi Zhang, Huseyin Aksu, Buddhadev Maiti, Xiang Sun, Eitan Geva, Barry D Dunietz, Margaret S Cheung
On the Interplay between Electronic Structure and Polarizable Force Fields When Calculating Solution-Phase Charge-Transfer Rates. Journal of chemical theory and computation 16 (10) (2020)
Huseyin Aksu, Alexander Schubert, Srijana Bhandari, Atsushi Yamada, Eitan Geva, Barry D Dunietz
On the Role of the Special Pair in Photosystems as a Charge Transfer Rectifier. The journal of physical chemistry. B 124 (10) (2020)
Ariela W Kaspi-Kaneti, Srijana Bhandari, Alexander Schubert, Songping D Huang, Barry D Dunietz
Cyanide Bridged Platinum-Iron Complexes as Cisplatin Prodrug Systems: Design and Computational Study. Chemphyschem : a European journal of chemical physics and physical chemistry 22 (1) (2020)
Huseyin Aksu, Suranjan K Paul, John M Herbert, Barry D Dunietz
How Well Does a Solvated Octa-acid Capsule Shield the Embedded Chromophore? A Computational Analysis Based on an Anisotropic Dielectric Continuum Model. The journal of physical chemistry. B 124 (32) (2020)
Ellen Mulvihill, Alexander Schubert, Xiang Sun, Barry D Dunietz, Eitan Geva
A modified approach for simulating electronically nonadiabatic dynamics via the generalized quantum master equation. The Journal of chemical physics 150 (3) (2019)
Huseyin Aksu, Alexander Schubert, Eitan Geva, Barry D Dunietz
Explaining Spectral Asymmetries and Excitonic Characters of the Core Pigment Pairs in the Bacterial Reaction Center Using a Screened Range-Separated Hybrid Functional. The journal of physical chemistry. B 123 (42) (2019)
Srijana Bhandari, Barry D Dunietz
Quantitative Accuracy in Calculating Charge Transfer State Energies in Solvated Molecular Complexes Using a Screened Range Separated Hybrid Functional within a Polarized Continuum Model. Journal of chemical theory and computation 15 (8) (2019)
Yin Song, Alexander Schubert, Elizabeth L Maret, Ryan K Burdick, Barry D Dunietz, Eitan Geva, Jennifer P Ogilvie
Vibronic structure of photosynthetic pigments probed by polarized two-dimensional electronic spectroscopy and ab initio calculations. Chemical science 10 (35) (2019)
Alexei A Kananenka, Xiang Sun, Alexander Schubert, Barry D Dunietz, Eitan Geva
A comparative study of different methods for calculating electronic transition rates. The Journal of chemical physics 148 (10) (2018)
Srijana Bhandari, Margaret S Cheung, Eitan Geva, Leeor Kronik, Barry D Dunietz
Fundamental Gaps of Condensed-Phase Organic Semiconductors from Single-Molecule Calculations using Polarization-Consistent Optimally Tuned Screened Range-Separated Hybrid Functionals. Journal of chemical theory and computation 14 (12) (2018)
Christopher McCleese, Zhanqian Yu, Nopondo N Esemoto, Charles Kolodziej, Buddhadev Maiti, Srijana Bhandari, Barry D Dunietz, Yanming Wang, Marcin Ptaszek
Excitonic Interactions in Bacteriochlorin Homo-Dyads Enable Charge Transfer: A New Approach to the Artificial Photosynthetic Special Pair. The journal of physical chemistry. B 122 (14) (2018)
Sunandan Sarkar, John D Protasiewicz, Barry D Dunietz
Controlling the Emissive Activity in Heterocyclic Systems Bearing C═P Bonds. The journal of physical chemistry letters 9 (13) (2018)
Qi Zhou, Atsushi Yamada, Qingguo Feng, Austin Hoskins, Barry D Dunietz, Kim Michelle Lewis
Modification of Molecular Conductance by in Situ Deprotection of Thiol-Based Porphyrin. ACS applied materials & interfaces 9 (19) (2017)
Buddhadev Maiti, Alexander Schubert, Sunandan Sarkar, Srijana Bhandari, Kunlun Wang, Zhe Li, Eitan Geva, Robert J Twieg, Barry D Dunietz
Enhancing charge mobilities in organic semiconductors by selective fluorination: a design approach based on a quantum mechanical perspective. Chemical science 8 (10) (2017)

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Publication Activity (10 Years)

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Barry D Dunietz