ATMOSPHERIC CHEMISTRY AND PHYSICS

About

Our group is interested in the characterization of molecular systems relevant in atmospheric chemistry. A few topics that have been studied in the past are the spectroscopy, the photodissociation dynamics and the recombination of ozone (O3), the simplest Criegee intermediate (CH2OO) to name a couple in order to understand peculiar phenomena. We are particularly interested in quantifying the Ozone Isotopic Anomaly (MIF of Ozone) which despite experimental observation still suffer a reliable quantitative explanation.

Representative Work

1. Rovibrational states calculations of the H2O-HCN heterodimer with the multiconfiguration time dependent Hartree method, PCCP (2023).
2. Temperature Dependence of the Electronic Absorption Spectrum of NO2, JPCA (2023).
3. The Low-Lying Electronic States of NO2: Potential Energy and Dipole Surfaces, Bound States, and Electronic Absorption Spectrum, JPCA (2021).
4. Rotationally inelastic scattering of O3-Ar: state-to-state rates with the multiconfigurational time dependent Hartree method, PCCP (2020).
5. Development of a potential energy surface for the O3-Ar system: rovibrational states of the complex, PCCP (2019).
6. Dynamical Interference in the Vibronic Bond Breaking Reaction of HCO, Sci. Adv. (2019).
7. A new set of Potential Energy Surfaces for HCO: Influence of Renner-Teller coupling on the bound and resonance vibrational states, JCP (2016).
8. Calculated vibrational states of ozone up to dissociation, JCP (2016).
9. Vibrational energy levels of the simplest Criegee intermediate (CH2OO) from full-dimensional quantum and MCTDH calculation, JCP (2015).
10. Ozone photolysis: Strong isotopologue/isotopomer selectivity in the stratosphere, JGRA (2014).

People

Steve Ndengue

Senior Lecturer