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Shaama Mallikarjun Sharada - Publications

Affiliations: 
University of Southern California, Los Angeles, CA, United States 
Area:
computational catalysis
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11 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Patra A, Pipim GB, Krylov AI, Mallikarjun Sharada S. Performance of Density Functionals for Excited-State Properties of Isolated Chromophores and Exciplexes: Emission Spectra, Solvatochromic Shifts, and Charge-Transfer Character. Journal of Chemical Theory and Computation. 20: 2520-2537. PMID 38488640 DOI: 10.1021/acs.jctc.4c00005  0.517
2023 Patra A, Krylov AI, Mallikarjun Sharada S. Simulating excited-state complex ensembles: Fluorescence and solvatochromism in amine-arene exciplexes. The Journal of Chemical Physics. 159. PMID 37551803 DOI: 10.1063/5.0158061  0.529
2022 Bac S, Patra A, Kron KJ, Mallikarjun Sharada S. Recent Advances toward Efficient Calculation of Higher Nuclear Derivatives in Quantum Chemistry. The Journal of Physical Chemistry. A. 126: 7795-7805. PMID 36282088 DOI: 10.1021/acs.jpca.2c05459  0.38
2022 Quiton SJ, Chae J, Bac S, Kron K, Mitra U, Mallikarjun Sharada S. Toward Efficient Direct Dynamics Studies of Chemical Reactions: A Novel Matrix Completion Algorithm. Journal of Chemical Theory and Computation. PMID 35666801 DOI: 10.1021/acs.jctc.2c00321  0.325
2022 Bac S, Quiton SJ, Kron KJ, Chae J, Mitra U, Mallikarjun Sharada S. A matrix completion algorithm for efficient calculation of quantum and variational effects in chemical reactions. The Journal of Chemical Physics. 156: 184119. PMID 35568565 DOI: 10.1063/5.0091155  0.369
2022 Kron KJ, Rodriguez-Katakura A, Regu P, Reed MN, Elhessen R, Mallikarjun Sharada S. Organic photoredox catalysts for CO reduction: Driving discovery with genetic algorithms. The Journal of Chemical Physics. 156: 184109. PMID 35568537 DOI: 10.1063/5.0088353  0.332
2022 Kron KJ, Hunt JR, Dawlaty JM, Mallikarjun Sharada S. Modeling and Characterization of Exciplexes in Photoredox CO Reduction: Insights from Quantum Chemistry and Fluorescence Spectroscopy. The Journal of Physical Chemistry. A. PMID 35385660 DOI: 10.1021/acs.jpca.1c10658  0.426
2020 Quiton SJ, Mitra U, Mallikarjun Sharada S. A matrix completion algorithm to recover modes orthogonal to the minimum energy path in chemical reactions. The Journal of Chemical Physics. 153: 054122. PMID 32770897 DOI: 10.1063/5.0018326  0.36
2020 Kron KJ, Gomez SJ, Mao Y, Cave RJ, Mallikarjun Sharada S. Computational Analysis of Electron Transfer Kinetics for CO Reduction with Organic Photoredox Catalysts. The Journal of Physical Chemistry. A. PMID 32491858 DOI: 10.1021/Acs.Jpca.0C03065  0.492
2020 Lan Z, Mallikarjun Sharada S. Linear free energy relationships for transition metal chemistry: case study of CH activation with copper-oxygen complexes. Physical Chemistry Chemical Physics : Pccp. PMID 32207503 DOI: 10.1039/d0cp01245a  0.348
2012 Mallikarjun Sharada S, Zimmerman PM, Bell AT, Head-Gordon M. Automated Transition State Searches without Evaluating the Hessian. Journal of Chemical Theory and Computation. 8: 5166-74. PMID 26593206 DOI: 10.1021/Ct300659D  0.426
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