Last Updated: 09/26/2026
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Found 21 publications
A study of the atmospherically relevant reaction between dimethyl sulphide (DMS) and Cl2 in the absence and presence of water using electronic structure methods.
Journal: Physical chemistry chemical physics : PCCP
Published: July 16, 2025
A study of the thermodynamics and mechanisms of the atmospherically relevant reaction dimethyl sulphide (DMS) with atomic chlorine (Cl) in the absence and presence of water, using electronic structure methods.
Journal: Physical chemistry chemical physics : PCCP
Published: January 24, 2023
Comment on "Impact of water on the BrO + HO2 gas-phase reaction: mechanism, kinetics and products" by N. T. Tsona, S. Tang and L. Du, Phys. Chem. Chem. Phys., 2019, 21, 20296.
Journal: Physical chemistry chemical physics : PCCP
Published: March 18, 2021
Simulation of the photodetachment spectrum of HHfO- using coupled-cluster calculations.
Journal: The Journal of chemical physics
Published: December 25, 2016
A theoretical study of the atmospherically important radical-radical reaction BrO + HO2; the product channel O2(a1Δg) + HOBr is formed with the highest rate.
Journal: Physical chemistry chemical physics : PCCP
Published: October 28, 2016
Direct Measurements of Unimolecular and Bimolecular Reaction Kinetics of the Criegee Intermediate (CH3)2COO.
Journal: The journal of physical chemistry. A
Published: October 19, 2016
Simulation of the single-vibronic-level emission spectra of HAsO and DAsO.
Journal: The Journal of chemical physics
Published: May 16, 2016
A Study of H2O2 with Threshold Photoelectron Spectroscopy (TPES) and Electronic Structure Calculations: Redetermination of the First Adiabatic Ionization Energy (AIE).
Journal: The journal of physical chemistry. A
Published: April 06, 2016
Can Cyclen Bind Alkali Metal Azides? A DFT Study as a Precursor to Synthesis.
Journal: Chemistry (Weinheim an der Bergstrasse, Germany)
Published: November 16, 2015
Reaction between CH3O2 and BrO radicals: a new source of upper troposphere lower stratosphere hydroxyl radicals.
Journal: The journal of physical chemistry. A
Published: March 14, 2015
A theoretical study of the mechanism of the atmospherically relevant reaction of chlorine atoms with methyl nitrate, and calculation of the reaction rate coefficients at temperatures relevant to the troposphere.
Journal: Physical chemistry chemical physics : PCCP
Published: February 24, 2015
Simulation of the single-vibronic-level emission spectrum of HPS.
Journal: The Journal of chemical physics
Published: May 24, 2014
Last Updated: 09/26/2026