- Publication
- Sep 8, 2015
Kinetics and thermodynamics of H. transfer from (eta5-C5R5)Cr(CO)3H (R = Ph, Me, H) to methyl methacrylate and styrene
Tang, et al. J. Am. Chem. Soc., 2003, 125, 10093-10102- Publication
- Sep 8, 2015
Electronic Structure and Luminescence of 1.1-and 1.4-nm Silicon Nanocrystals: Oxide Shell versus Hydrogen Passivation
Zhou, et al. Nano Letters, 2003, 3, 163-167- Publication
- Sep 8, 2015
DFT study of 1-D Li6Gd(BO3)(3)
Rivas-Silva, et al. Int. J. Quantum Chem., 2003, 94, 105-112- Publication
- Sep 8, 2015
Dynamics of alkane hydroxylation at the non-heme diiron center in methane monooxygenase
Guallar, et al. J. Am. Chem. Soc., 2002, 124, 3377-3384- Publication
- Sep 8, 2015
Computational Modeling for Scanning Tunneling Microscopy of Physisorbed Molecules via Ab Initio Quantum Chemistry
Crystal, et al. J. Phys. Chem. A, 2002, 106, 1802-1814- Publication
- Sep 8, 2015
Femtosecond Infrared Study of the Dynamics of Solvation and Solvent Caging
Yang, et al. J. Am. Chem. Soc., 2001, 123, 4204- Publication
- Sep 8, 2015
Bonded Exciplex Formation: Electronic and Stereoelectronic Effects
Wang, et al. J. Phys. Chem. A, 2008, 112, 13088-13094- Publication
- Sep 8, 2015
Prediction of 57 Fe M’ssbauer Parameters by Density Functional Theory: A Benchmark Study
Bochevarov, et al. J. Chem. Theory Comput., 2010, 6, 3735-3749- Publication
- Sep 8, 2015
Elucidating the Ionomer-Electrified Metal Interface
Kendrick, et al. J. Am. Chem. Soc., 2010, 132, 17611-17616- Publication
- Sep 8, 2015
Predicting Solvent Stability in Aprotic Electrolyte -Air Batteries: Nucleophilic Substitution by the Superoxide Anion Radical (O2–)
Bryantsev, et al. J. Phys. Chem. A, 2011, 115, 12399-12409- Publication
- Sep 8, 2015
Heptahexaenylidene Complexes: Synthesis and Characterization of the First Complexes with an M=C=C=C=C=C=C=CR2 Moiety (M = Cr, W)
Dede, et al. Organometallics, 2007, 26, 4294-4299- Publication
- Sep 8, 2015
The inner-sphere process in the enantioselective Tsuji allylation reaction with (S)-t-Bu-phosphinooxazoline ligands
Keith, et al. J. Am. Chem. Soc., 2007, 129, 11876-11877Case Studies
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