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Electron-poor rhenium allenylidenes and their reactivity toward phosphines: A combined experimental and theoretical study
Coletti, et al. Organometallics, 2012, 31(1), 57-69- Publication
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Mechanism of H2O2 decomposition on transition metal oxide surfaces
Lousada, et al. J. Phys. Chem. C., 2012, 116, 9533-9543- Publication
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A B3LYP-DBLOC empirical correction scheme for ligand removal enthalpies of transition metal complexes: Parameterization against experimental and CCSD(T)-F12 heats of formation
Hughes, et al. Phys. Chem. Chem. Phys., 2012, 14, 7724-7738- Publication
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Oxygen-evolving Mn cluster in photosystem II: The protonation pattern and oxidation state in the high-resolution crystal structure
Galstyan, et al. J. Am. Chem. Soc., 2012, 134, 7442-7449- Publication
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Jaguar: A high-performance quantum chemistry software program with strengths in life and materials sciences
Bochevarov, et al. Int. J. Quantum Chem., 2013, 113(18), 2110-2142- Publication
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Virtual screening of electron acceptor materials for organic photovoltaic applications
Halls, et al. New J. Phys., 2013, 15, 105029- Publication
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Theoretical and Spectroscopic Study of Nickel(II) Porphyrin Derivatives
Berrios, et al. J. Phys. Chem. A, 2007, 111, 2706-2714- Publication
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Unprecedented Formation of Azulenylidene Ligands by Reaction of the Vinylidene Ligand in Arylvinylidene Pentacarbonyl Complexes of Chromium and Tungsten with Alkoxyacetylenes
Hagmayer, et al. Organometallics, 2007, 26, 3791-3801- Publication
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Electronics and Chemistry: Varying Single-Molecule Junction Conductance Using Chemical Substituents
Venkataraman, et al. Nano Letters, 2007, 7, 502-506- Publication
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Bonded Exciplexes. A New Concept in Photochemical Reactions
Wang, et al. J. Org. Chem., 2007, 72, 6970-6981
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