Chemical Physics

His research interests are in computational chemistry, including method and software development with applications to modeling the excited electronic states of large molecules and their photochemical reaction dynamics. He has contributed to the development of the Gaussian computational chemistry codes and his experimental collaborators includes laser spectroscopists working on the coherent control of chemical reactions.

Vacher M, Mendive-Tapia D, Bearpark MJ, et al., 2015, Electron dynamics upon ionization: Control of the timescale through chemical substitution and effect of nuclear motion., J Chem Phys, Vol:142 Thompson LM, Lasoroski A, Champion PM, et al., 2014, Analytical Harmonic Vibrational Frequencies for the Green Fluorescent Protein Computed with ONIOM: Chromophore Mode Character and Its Response to Environment, Journal of Chemical Theory and Computation, Vol:10, ISSN:1549-9618, Pages:751-766 Mendive-Tapia D, Perrier A, Bearpark MJ, et al., 2014, New insights into the by-product fatigue mechanism of the photo-induced ring-opening in diarylethenes, Physical Chemistry Chemical Physics, Vol:16, ISSN:1463-9076, Pages:18463-18471 Jenkins S, Blancafort L, Kirk SR, et al., 2014, The response of the electronic structure to electronic excitation and double bond torsion in fulvene: a combined QTAIM, stress tensor and MO perspective, Physical Chemistry Chemical Physics, Vol:16, ISSN:1463-9076, Pages:7115-7126

Vacher M, Bearpark MJ, Robb MA, 2014, Communication: Oscillating charge migration between lone pairs persists without significant interaction with nuclear motion in the glycine and Gly-Gly-NH-CH3 radical cations, Journal of Chemical Physics, Vol:140, ISSN:0021-9606