| Consistent inclusion of continuum solvation in energy decomposition analysis: theory and application to molecular CO 2 reduction catalysts Y Mao, M Loipersberger, KJ Kron, JS Derrick, CJ Chang, SM Sharada, ... Chemical science 12 (4), 1398-1414, 2021 | 46 | 2021 |
| Perspective and challenges in electrochemical approaches for reactive CO2 separations B Gurkan, X Su, A Klemm, Y Kim, SM Sharada, A Rodriguez-Katakura, ... Iscience 24 (12), 2021 | 30 | 2021 |
| Computational Analysis of Electron Transfer Kinetics for CO2 Reduction with Organic Photoredox Catalysts KJ Kron, SJ Gomez, Y Mao, RJ Cave, S Mallikarjun Sharada The Journal of Physical Chemistry A 124 (26), 5359-5368, 2020 | 18 | 2020 |
| A matrix completion algorithm for efficient calculation of quantum and variational effects in chemical reactions S Bac, SJ Quiton, KJ Kron, J Chae, U Mitra, S Mallikarjun Sharada The Journal of Chemical Physics 156 (18), 2022 | 9 | 2022 |
| Photoredox chemistry with organic catalysts: Role of computational methods KJ Kron, A Rodriguez-Katakura, R Elhessen, S Mallikarjun Sharada ACS omega 6 (49), 33253-33264, 2021 | 7 | 2021 |
| Divergent Diels–Alder Reactions in the Biosynthesis and Synthesis of Endiandric-Type Tetracycles: A Computational Study KJ Kron, M Kosich, RJ Cave, DA Vosburg The Journal of organic chemistry 83 (18), 10941-10947, 2018 | 7 | 2018 |
| Recent advances toward efficient calculation of higher nuclear derivatives in quantum chemistry S Bac, A Patra, KJ Kron, S Mallikarjun Sharada The Journal of Physical Chemistry A 126 (43), 7795-7805, 2022 | 5 | 2022 |
| Organic photoredox catalysts for CO2 reduction: Driving discovery with genetic algorithms KJ Kron, A Rodriguez-Katakura, P Regu, MN Reed, R Elhessen, ... The Journal of chemical physics 156 (18), 2022 | 5 | 2022 |
| Modeling and Characterization of Exciplexes in Photoredox CO2 Reduction: Insights from Quantum Chemistry and Fluorescence Spectroscopy KJ Kron, JR Hunt, JM Dawlaty, S Mallikarjun Sharada The Journal of Physical Chemistry A 126 (15), 2319-2329, 2022 | 5 | 2022 |
| Toward Efficient Direct Dynamics Studies of Chemical Reactions: A Novel Matrix Completion Algorithm SJ Quiton, J Chae, S Bac, K Kron, U Mitra, S Mallikarjun Sharada Journal of Chemical Theory and Computation 18 (7), 4327-4341, 2022 | 4 | 2022 |
| Inferring the Energetics of CO2–Aniline Adduct Formation from Vibrational Spectroscopy B Delibas, KJ Kron, DE Cotton, N Salazar, SM Sharada, JM Dawlaty The Journal of Physical Chemistry A 127 (24), 5162-5170, 2023 | | 2023 |
| Correction to “Modeling and Characterization of Exciplexes in Photoredox CO2 Reduction: Insights from Quantum Chemistry and Fluorescence Spectroscopy” KJ Kron, JR Hunt, JM Dawlaty, S Mallikarjun Sharada The Journal of Physical Chemistry A 127 (7), 1801-1802, 2023 | | 2023 |
| Molecular Modelling of Organic Photoredox Catalysts for CO2 Reduction K Kron University of Southern California, 2023 | | 2023 |
| Green Organic Photoredox Catalysis: Electronic Structure Guided Design and Discovery K Kron, A Rodriguez-Katakura, R Elhessen, M Reed, JR Hunt, J Dawlaty, ... 2022 AIChE Annual Meeting, 2022 | | 2022 |
| Modeling Organic Photoredox Catalyst Reduction Kinetics, Donor-Acceptor Interactions, and Degradation Pathways in CO2 Reduction Catalytic Cycle K Kron, SM Sharada 2021 AIChE Annual Meeting, 2021 | | 2021 |
| Beyond Conventional Transition State Theory in Catalysis: Applications of Matrix Completion Methods SM Sharada, SJ Quiton, S Bac, K Kron 2021 AIChE Annual Meeting, 2021 | | 2021 |
| Towards Practical Matrix Completion Methods for Transition State Theory SJ Quiton, S Bac, K Kron, SM Sharada 2021 AIChE Annual Meeting, 2021 | | 2021 |
| Computational comparisons of Diels-Alder transition states for endiandric tetracycles using density functional theory K Kron, R Cave, D Vosburg ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
| Toward total syntheses of cryptobeilic and isocryptobeilic acid D LJ Kim, E Bin Go, S Wetzler, K Kron, G Miller, D Vosburg ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
| Isocryptobeilic acid D: Synthetic pursuit and computational comparisons G Miller, LJ Kim, K Kron, O Velazquez, G Castro, R Cave, D Vosburg ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
Shaama Mallikarjun SharadaAssociate Professor, Mork Family Department of Chemical Engineering and Materials ScienceПотвърден имейл адрес: usc.edu
