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Electronic Structure Methods for Simulating Flavin’s Spectroscopy and Photophysics: Comparison of Multi-reference, TD-DFT, and Single-Reference Wave Function Methods
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Kabir, Mohammad Pabel and Ghosh, Paulami and Gozem, Samer |
2024 |
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Absorption Intensities of Organic Molecules from Electronic Structure Calculations versus Experiments: the Effect of Solvation, Method, Basis Set, and Transition Moment Gauge
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Garcia-Alvarez, Jorge C. and Gozem, Samer |
2024 |
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How Aqueous Solvation Impacts the Frequencies and Intensities of Infrared Absorption Bands in Flavin: The Quest for a Suitable Solvent Model
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Le, D. P. Ngan and Hastings, Gary and Gozem, Samer |
2024 |
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Solvent-Dependent Emissions Properties of a Model Aurone Enable Use in Biological Applications
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Anderson, Beth and Bryant, Daniel L. and Gozem, Samer and Brambley, Chad and Handy, Scott T. and Farone, Anthony and Miller, Justin M. |
2024 |
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First and Second Reductions in an Aprotic Solvent: Comparing Computational and Experimental One-Electron Reduction Potentials for 345 Quinones
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Elhajj, Sarah and Gozem, Samer |
2024 |
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Teaching Nonradiative Transitions with MATLAB and Python
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Zheng, Xin and Drummer, Matthew C. and Russell, Thomas A. and Gozem, Samer and Glusac, Ksenija D. |
2024 |
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Facile interconversion of mesitylcopper into a CuMes–Cu 2 bis (amidinate) triangle and a tetracuprous Mobius strip
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Keri Dowling et al |
2024 |
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How Aqueous Solvation Impacts the Frequencies and Intensities of Infrared Absorption Bands in Flavin: The Quest for a Suitable Solvent Model
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Le, D. P. Ngan and Hastings, Gary and Gozem, Samer |
2024 |
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Sensory feedback and central neuronal interactions in mouse locomotion
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Molkov, Yaroslav I. and Yu, Guoning and Ausborn, Jessica and Bouvier, Julien and Danner, Simon M. and Rybak, Ilya A. |
2024 |
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Deep Learning-Driven Insights into Cell Migration Dynamics
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Shrestha, Shruti and Jiang, Yi and Edirisinghe, Neranjan |
2024 |
