Michael S Schuurman

11PUBLICATIONS
14CO-AUTHORS
Chemical and thermal processes in energy and combustionStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterReaction kinetics and dynamicsTheoretical quantum chemistryRadiation and matter
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Publications (11)

|Dec 31, 2020
Directing excited state dynamics via chemical substitution: A systematic study of π-donors and π-acceptors at a carbon-carbon double bond.

Katherine R Herperger, Anja Röder, Ryan J MacDonell

|Mar 23, 2020
Propagative block diagonalization diabatization of DFT/MRCI electronic states.

Simon P Neville, Issaka Seidu, Michael S Schuurman

|Mar 02, 2020
Substituent effects on nonadiabatic excited state dynamics: Inertial, steric, and electronic effects in methylated butadienes.

Ryan J MacDonell, María E Corrales, Andrey E Boguslavskiy

|Nov 03, 2019
Electron transfer in photoexcited pyrrole dimers.

Simon P Neville, Adam Mirmiran, Graham A Worth

|Oct 17, 2019
The simulation of X-ray absorption spectra from ground and excited electronic states using core-valence separated DFT/MRCI.

Issaka Seidu, Simon P Neville, Martin Kleinschmidt

|May 17, 2019
Efficient calculation of X-ray absorption spectra using Chebyshev-Slepian filter diagonalisation.

Simon P Neville, Michael S Schuurman

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Frequent Collaborators

2 joint publications

William J Glover

2 joint publications

Toshifumi Mori

2 joint publications

Oliver Schalk

2 joint publications

Todd J Martínez