Tags: Physical Seminar


Unraveling Complex Pressure-Dependent Reaction Mechanisms in Autoignition and in Atmospheric Chemistry

Many important gas-phase processes (e.g. in Atmospheric and Combustion Chemistry) involve vast networks of coupled chemical reactions that occur simultaneously. Some of these reactions proceed via metastable intermediates, resulting in very complex T­- and P-dependent behavior. The study of such systems often requires development of new experimental tools, capable of probing of numerous chemical species at once over a wide range of conditions.…


Computational Prediction of Ligand Binding Affinity


Predictive, Automated Computational Combustion Chemistry


New potential energy surface for the Al + CO2 -> AlO + CO reaction


Nano-Spectroscopic Imaging of Matter

Interactions at the nanometer length scale in hard and soft condensed matter give rise to intriguing phases in correlated electron materials, lead to the design of exotic metamaterials, and offer enormous opportunities for the development of novel therapeutics and vaccines. I will present my group’s recent study of subwavelength-scale interactions in hard and soft condensed nanomaterials using terahertz, infrared, and optical nanoscopy…


Experimental Investigations into Singlet Fission Kinetics and Dynamics in Polycrystalline Thin Films of Pentacene


Structure-elucidation from ion mobility spectrometry-mass spectrometry data: are detailed structures amenable?

Ion mobility spectrometry-mass spectrometry (IMS-MS) methods have gained significant attention to study structures for complex and dynamic biological systems such as amyloid assemblies or viral capsids. These studies make use of the fact that the measured mobility of an ion is related to its microscopic structure. However, current studies do not allow a quantitative and predictive structural interpretation of IMS-MS data. In this contribution,…


Organic nitrates from nitrate radical oxidation of monoterpenes: Effects of dilution, temperature, humidity, and photochemical aging

Secondary organic aerosols (SOA) contribute a substantial fraction of ambient fine particulate matter (PM) and have important implications on climate and health. Results from field measurements have shown that particulate organic nitrates are ubiquitous in ambient aerosols. Organic nitrates play an important role in the cycling of NOx, SOA, and ozone formation, yet their formation mechanisms and fates remain highly uncertain. The reactions of…


Studying the effect of CH stretching excitation on the reaction of CHD_3 + F


Theoretical Investigation of the Vibrational Spectrum of H2CN

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