Area of research
Atomic and Molecular Physics, and Optics · Atmospheric Science
Research interest
Research focused on Methanesulfonic acid and Oxalic acid, with related work in Environmental chemistry, Liquid water, Sulfuric acid. Notable publications include 'Simplified mechanism for new particle formation from methanesulfonic acid, amines, and water via experiments and ab initio calculations', 'Calculations predict a stable molecular crystal of N8', and 'The future of airborne sulfur-containing particles in the absence of fossil fuel sulfur dioxide emissions'.
Experimental and Theoretical Investigation of 2-Methylbenzothiazole Oxidation by OH in Air and the Role of O<sub>2</sub> and NO
Experimental and theoretical investigation of benzothiazole oxidation by OH in air and the role of O<sub>2</sub>
Formation of Chlorine in the Atmosphere by Reaction of Hypochlorous Acid with Seawater
Dynamics of hydrogen shift reactions between peroxy radicals
Influence of solvent on the electronic structure and the photochemistry of nitrophenols
pH Dependence of the speciation and optical properties of 4-benzoylbenzoic acid
Selective reactivity of glycosyl cation stereoisomers: the role of intramolecular hydrogen bonding
Absorption Spectra and the Electronic Structure of Gallic Acid in Water at Different pH: Experimental Data and Theoretical Cluster Models
Electronic and mechanical anharmonicities in the vibrational spectra of the H-bonded, cryogenically cooled X− · HOCl (X=Cl, Br, I) complexes: Characterization of the strong anionic H-bond to an acidic OH group
Energy transfer, pre-reactive complex formation and recombination reactions during the collision of peroxy radicals
Preparation and Characterization of the Halogen-Bonding Motif in the Isolated Cl<sup>–</sup>·IOH Complex with Cryogenic Ion Vibrational Spectroscopy
Computed Pre-reactive Complex Association Lifetimes Explain Trends in Experimental Reaction Rates for Peroxy Radical Recombinations
Effects of Microhydration on the Mechanisms of Hydrolysis and Cl<sup>−</sup> Substitution in Reactions of N<sub>2</sub>O<sub>5</sub> and Seawater
Toward a microscopic model of light absorbing dissolved organic compounds in aqueous environments: theoretical and experimental study
Size-Dependent Onset of Nitric Acid Dissociation in Cs<sup>+</sup>·(HNO<sub>3</sub>)(H<sub>2</sub>O)<sub><i>n</i>=0–11</sub> Clusters at 20 K
Absorption spectra of benzoic acid in water at different pH and in the presence of salts: insights from the integration of experimental data and theoretical cluster models
Integrated experimental and theoretical approach to probe the synergistic effect of ammonia in methanesulfonic acid reactions with small alkylamines
Impact of pH and NaCl and CaCl<sub>2</sub> Salts on the Speciation and Photochemistry of Pyruvic Acid in the Aqueous Phase
Absorption spectra of pyruvic acid in water: insights from calculations for small hydrates and comparison to experiment
Dual Basis Approach for Ab Initio Anharmonic Calculations of Vibrational Spectroscopy: Application to Microsolvated Biomolecules
Gas phase dynamics, conformational transitions and spectroscopy of charged saccharides: the oxocarbenium ion, protonated anhydrogalactose and protonated methyl galactopyranoside
Isomer-specific cryogenic ion vibrational spectroscopy of the D<sub>2</sub> tagged Cs<sup>+</sup>(HNO<sub>3</sub>)(H<sub>2</sub>O)<sub>n=0–2</sub> complexes: ion-driven enhancement of the acidic H-bond to water
Sulfate and Carboxylate Suppress the Formation of ClNO<sub>2</sub> at Atmospheric Interfaces
S<sub>N</sub>2 Reactions of N<sub>2</sub>O<sub>5</sub> with Ions in Water: Microscopic Mechanisms, Intermediates, and Products
Mechanisms and competition of halide substitution and hydrolysis in reactions of N <sub>2</sub> O <sub>5</sub> with seawater
Microscopic Mechanisms of N<sub>2</sub>O<sub>5</sub> Hydrolysis on the Surface of Water Droplets
Experimental and Theoretical Studies of the Environmental Sensitivity of the Absorption Spectra and Photochemistry of Nitenpyram and Analogs
Structures, Stability, and Decomposition Dynamics of the Polynitrogen Molecule N<sub>5</sub><sup>+</sup>B(N<sub>3</sub>)<sub>4</sub><sup>–</sup> and Its Dimer [N<sub>5</sub><sup>+</sup>]<sub>2</sub>[B(N<sub>3</sub>)<sub>4</sub><sup>–</sup>]<sub>2</sub>
Hydrogenic Stretch Spectroscopy of Glycine–Water Complexes: Anharmonic Ab Initio Classical Separable Potential Calculations
Intrinsic structure of pentapeptide Leu-enkephalin: geometry optimization and validation by comparison of VSCF-PT2 calculations with cold ion spectroscopy