CM
Publications
- Δ‐SCF calculations of core electron binding energies in first‐row transition metal atoms
- Exploration of Substituent and Isotope Effects on Reaction Rates by a Computational Modeling Experiment
- A Strategy for Separating and Recovering Aqueous Ions: Redox-Recyclable Ion-Exchange Materials Containing a Physisorbed, Redox-Active, Organometallic Complex
- Umbrella Sampling of Solute Vibrational Line Shifts in Mixed Quantum−Classical Molecular Dynamics Simulations†
- Computational Studies of Metal−Ligand Bond Enthalpies across the Transition Metal Series
- Hypereutrophication of the Ala Wai Canal, Oahu, Hawaii: Prospects for Cleanup
- Molecular-Level Mechanisms of Vibrational Frequency Shifts in a Polar Liquid
- Mixed Quantum-Classical Molecular Dynamics Analysis of the Molecular-Level Mechanisms of Vibrational Frequency Shifts
- Insights into the Spin-Forbidden Reaction between L2Pd0and Molecular Oxygen
- “Inverse-Electron-Demand” Ligand Substitution: Experimental and Computational Insights into Olefin Exchange at Palladium(0)
- Simulations of Infrared Spectra of Nanoconfined Liquids: Acetonitrile Confined in Nanoscale, Hydrophilic Silica Pores†
- Electronic Structural Comparison of the Reactions of Dioxygen and Alkenes with Nitrogen-Chelated Palladium(0)
- Supramolecular main-chain liquid crystalline polymers and networks with competitive hydrogen bonding
- Catalytic hydroxylation of 1-propanol by platinum NCN and PCP pincer complexes using CuCl2 as oxidant
- Characterization of titanium dopants in sodium alanate by electron paramagnetic resonance spectroscopy
- Shortcomings of the VSEPR Model for Hypercoordinate Species and Its Presentation in General Chemistry
- Water-Mediated Charge Transfer and Electron Localization in a Co3Fe2 Cyanide-Bridged Trigonal Bipyramidal Complex