Tags: Physical Seminar


Classical Molecular Dynamics Simulations of Electronically Non-Adiabatic Processes


Recovering Unitary Invariance in Orbital-Dependent Density Functional and Wavefunction Formulations: Applications to Magnetic Molecules

The goal of deriving localized-orbitals as a means for describing transferable bonding orbitals or for more efficiently describing electronic correlation has a long history. Much of the inspiration in this area arose from a seminal paper by Edmiston and Ruedenberg[1] that derived localized orbitals based upon minimization of the magnitude of the mutual exchange, and which were observed to exhibit features that match ideas about chemical bonding…


The Curious Case of Cyclopropenylidene


Reactions in Helium Droplets: The Ethylperoxy Radical


Label-Free Biosensors Utilizing DNA-Enhanced Surface Plasmon Resonance


TBA


Infrared Spectroscopy of Hydrocarbon Radicals via Helium Nanodroplet Isolation


Analysis of Energy Localization in Decomposition Schema


TBA


Disentangling the Intermolecular Interactions Governing Atmospheric New Particle Formation

New particle formation (NPF) is the process by which trace atmospheric gases cluster and grow into small particles.  These particles make up a substantial fraction of climatically-relevant aerosols, but they are difficult to study due to their small size and ephemeral nature.  We are particularly interested in the role of intermolecular interactions such as proton transfer and hydrogen bonding in governing particle formation and growth…
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