@ Dalhousie

17. Ha, J.-K.; MacDonell, R.J. Analog Quantum Simulation of Coupled Electron-Nuclear Dynamics in Molecules. 2024, arXiv:2409.04427 [quant-ph].
18. Navickas, T.; MacDonell, R.J.; Valahu, C.H.; Olaya-Agudelo, V.C.; Scuccimarra, F.; Millican, M.J.; Matsos, V.G.; Nourse, H.L.; Rao, A.D.; Biercuk, M.J.; Hempel, C.; Kassal, I.; Tan, T.R. Experimental Quantum Simulation of Chemical Dynamics 2024, arXiv:2409.04044 [quant-ph].
19. Olaya-Agudelo, V.C.; Stewart, B.; Valahu, C.H.; MacDonell, R.J.; Millican, M.J.; Matsos, V.G.; Scuccimarra, F.; Tan, T.R.; Kassal, I. Simulating open-system molecular dynamics on analog quantum computers. 2024, arXiv:2407.17819 [quant-ph].

Before Dalhousie

@ University of Sydney

14. Valahu, C.H.; Olaya-Agudelo, V.C.; MacDonell, R.J.; Navickas, T.; Rao, A.D.; Millican, M.J.; Pérez-Sanchez, J.B.; Yuen-Zhou, J.; Biercuk, M.J.; Hempel, C.; Tan, T.R.; Kassal, I. Direct observation of geometric phase in dynamics around a conical intersection. Nat. Chem. 2023, 15, 1503–1508. (arXiv)
15. MacDonell, R.J.; Navickas, T.; Wohlers-Reichel, T.F.; Valahu, C.H.; Rao, A.D.; Millican, M.J.; Currington, M.A.; Biercuk, M.J.; Tan, T.R.; Hempel, C.; Kassal, I. Predicting molecular vibronic spectra using time-domain analog quantum simulation. Chem. Sci. 2023, 14, 9439–9451. (arXiv)
16. MacDonell, R.J.; Dickerson, C.E.; Birch, C.J.T.; Kumar, A.; Edmunds, C.L.; Biercuk, M.J.; Hempel, C.; Kassal, I. Analog quantum simulation of chemical dynamics. Chem. Sci. 2021, 12, 9794–9805. (arXiv)

@ University of Ottawa / National Research Council Canada

11. MacDonell, R.J.; Patchkovskii, S.; Schuurman, M.S. A comparison of partial atomic charges for electronically excited states. J. Chem. Theory Comput. 2022, 18, 1061–1071. (arXiv)
12. Seidu, I.; Neville, S.P.; MacDonell, R.J.; Schuurman, M.S. Resolving Competing Conical Intersection Pathways: Time-Resolved X-ray Absorption Spectroscopy of trans-1,3-Butadiene. Phys. Chem. Chem. Phys. 2022, 24, 1345–1354. (arXiv)
13. Williams, M.; Forbes, R.; Weir, H.; Veyrinas, K.; MacDonell, R.J.; Boguslavskiy, A.E.; Schuurman, M.S.; Stolow, A.; Martínez, T.J. Unmasking the cis-Stilbene Phantom State via Vacuum Ultraviolet Time-Resolved Photoelectron Spectroscopy and Ab Initio Multiple Spawning. J. Phys. Chem. Lett. 2021, 12, 6363–6369.
14. Herperger, K.R.; Röder, A.; MacDonell, R.J.; Boguslavskiy, A.E.; Skov, A.B.; Stolow, A.; Schuurman, M.S. Directing excited state dynamics via chemical substitution: A systematic study of π-donors and π-acceptors at a carbon–carbon double bond. J. Chem. Phys. 2020, 153, 244307.
15. Shin, H.; Liu, X.; Lacelle, T.; MacDonell, R.J.; Schuurman, M.S.; Malenfant, P.R.L.; Paquet, C. Mechanistic Insight into Bis(amino) Copper Formate Thermochemistry for Conductive Molecular Ink Design. ACS Appl. Mater. Interfaces 2020, 12, 33039–33049.
16. MacDonell, R.J.; Corrales, M.E.; Boguslavskiy, A.E.; Bañares, L.; Stolow, A.; Schuurman, M.S. Subtituent effects on nonadiabatic excited state dynamics: inertial, steric and electronic effects in methylated butadienes. J. Chem. Phys. 2020, 152, 084308.
17. MacDonell, R.J.; Schuurman, M.S. Site-selective isomerization of cyano-substituted butadienes: chemical control of nonadiabatic dynamics. J. Phys. Chem. A 2019, 123, 4693–4701.
18. MacDonell, R.J.; Schuurman, M.S. Substituent effects on the nonadiabatic dynamics of ethylene: π-donors and π-acceptors. Chem. Phys. 2018, 515, 360–368.
19. MacDonell, R.J.; Schalk, O.; Geng, T.; Thomas, R.D.; Feifel, R.; Hansson, T.; Schuurman, M.S. Excited state dynamics of acrylonitrile: Substituent effects at conical intersection interrogated via time-resolved photoelectron spectroscopy and ab initio simulation. J. Chem. Phys. 2016, 145, 114306.

@ Carleton University

2. Schuurman, M.S.; Giegerich, J.; Pachner, K.; Lang, D.; Kiendl, B.; MacDonell, R.J.; Krueger, A.; Fischer, I. Photodissociation Dynamics of Cyclopropenylidene, c-C₃H₂. Chem. Eur. J. 2015, 21, 14486–14495.
3. Boys, B.L.; Martin, R.V.; van Donkelaar, A.; MacDonell, R.J.; Hsu, N.C.; Cooper, M.J.; Yantosca, R.M.; Lu, Z. Streets, D.G.; Zhang, Q.; Wang, S.W. Fifteen-Year Global Time Series of Satellite-Derived Fine Particulate Matter. Environ. Sci. Technol. 2014, 49, 11109–11118.