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- Group Seminar and Journal Club 2017 - NEW!
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- Group Seminars and Journal Clubs - 2016
- Installing PyMol from MacPorts
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- MIPGen
- Small Molecule Dihedrals Parametrization
- Gaussian 09 and Antechamber12
- Organic solvent boxes
- Parametrize new ligands for AMBER and CHARMM
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2013. Dissecting the Nature of Exciton Interactions in Ethyne-Linked Tetraarylporphyrin Arrays. Journal of Physical Chemistry C. 117(24):12423-12431. Abstract
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2011. Quantum mechanical study of the solvent-dependence of electronic energy transfer rates in a Bodipy closely-spaced dyad. Photochemical & Photobiological Sciences. 10(10):1602-1609. Abstract
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2012. Toward a Unified Modeling of Environment and Bridge-Mediated Contributions to Electronic Energy Transfer: A Fully Polarizable QM/MM/PCM Approach. Journal of Chemical Theory and Computation. 8(11):4462-4473. Abstract