- Publication
- Sep 8, 2015
Single-Molecule Junction Conductance through Diaminoacenes
Quinn, et al. J. Am. Chem. Soc., 2007, 129, 6714-6715- Publication
- Sep 8, 2015
Scanning tunneling microscopy and theoretical study of competitive reactions in the dissociative chemisorption of CCl4 on iron oxide surfaces
Rim, et al. J. Phys. Chem. B., 2004, 108, 16753-16760- Publication
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Reversible surface oxidation and efficient luminescence quenching in semiconductor single-wall carbon nanotubes
Dukovic, et al. J. Am. Chem. Soc., 2004, 126, 15269-15276- Publication
- Sep 8, 2015
Electronic Structure of Tubular Aromatic Molecules derived from the Metallic (5,5) Armchair Single Wall Carbon Nanotube
Zhou, et al. J. Am. Chem. Soc., 2004, 126, 3597-3607- Publication
- Sep 8, 2015
Ab Initio Quantum Calculation of the Diabatic Coupling Matrix Elemetns for the Self-Exchange Redox Couples M(Cp)2 0/+(M=Fe, Co; Cp=C5H5)
Baik, et al. Inorg. Chem., 2002, 41, 5926-5927- Publication
- Sep 8, 2015
A Non-Classical Hydrogen Bond in the Molybdenum Arene Complex [‘6-C6H5C6H3(Ph)OH]Mo(PMe3)3: Evidence That Hydrogen Bonding Facilitates Oxidative Addition of the O-H Bond
Tony, et al. Chemical Communications, (British Royal Society), 2002, 22, 2644-2645- Publication
- Sep 8, 2015
Quantitative DFT modeling of the enantiomeric excess for dioxirane-catalyzed epoxidations
Schneebeli S.T., et al. J. Am. Chem. Soc., 2009, 131, 3965-3973- Publication
- Sep 8, 2015
Exploration of the conformational space of a polymeric material that inhibits human immunodeficiency virus
Ercanli, et al. J. Chem. Inf. Model., 2006, 46, 1321-1333- Publication
- Sep 8, 2015
Systematic investigation of the catalytic cycle of a single site ruthenium oxygen evolving complex using density functional theory
Hughes, et al. J. Phys. Chem. B, 2011, 115, 9280-9- Publication
- Sep 8, 2015
Charge Delocalization and Enhanced Acidity in Tricationic Superelectrophiles
Naredla, et al. J. Am. Chem. Soc., 2011, 133, 13169-13175- Publication
- Sep 8, 2015
Mechanism for Degradation of Nafion in PEM Fuel Cells from Quantum Mechanics Calculations
Yu, et al. J. Am. Chem. Soc., 2011, 133, 19857-19863- Publication
- Sep 8, 2015
Electron-poor rhenium allenylidenes and their reactivity toward phosphines: A combined experimental and theoretical study
Coletti, et al. Organometallics, 2012, 31(1), 57-69Case Studies
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