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Michael Schuurman - Publications

Affiliations: 
Chemistry University of Ottawa, Ottawa, ON, Canada 
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60 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Zinchenko KS, Ardana-Lamas F, Lanfaloni VU, Monahan N, Seidu I, Schuurman MS, Neville SP, Wörner HJ. Few-femtosecond electronic and structural rearrangements of driven by the Jahn-Teller effect. Structural Dynamics (Melville, N.Y.). 10: 064303. PMID 38107247 DOI: 10.1063/4.0000217  0.736
2023 Morrigan L, Neville SP, Gregory M, Boguslavskiy AE, Forbes R, Wilkinson I, Lausten R, Stolow A, Schuurman MS, Hockett P, Makhija V. Ultrafast Molecular Frame Quantum Tomography. Physical Review Letters. 131: 193001. PMID 38000424 DOI: 10.1103/PhysRevLett.131.193001  0.755
2023 Wang TY, Neville SP, Schuurman MS. Machine Learning Seams of Conical Intersection: A Characteristic Polynomial Approach. The Journal of Physical Chemistry Letters. 14: 7780-7786. PMID 37615964 DOI: 10.1021/acs.jpclett.3c01649  0.68
2023 Gabalski I, Allum F, Seidu I, Britton M, Brenner G, Bromberger H, Brouard M, Bucksbaum PH, Burt M, Cryan JP, Driver T, Ekanayake N, Erk B, Garg D, Gougoula E, ... ... Schuurman MS, et al. Time-Resolved X-ray Photoelectron Spectroscopy: Ultrafast Dynamics in CS Probed at the S 2p Edge. The Journal of Physical Chemistry Letters. 7126-7133. PMID 37534743 DOI: 10.1021/acs.jpclett.3c01447  0.762
2022 Neville SP, Schuurman MS. A perturbative approximation to DFT/MRCI: DFT/MRCI(2). The Journal of Chemical Physics. 157: 164103. PMID 36319437 DOI: 10.1063/5.0118285  0.73
2022 Gregory M, Neville S, Schuurman M, Makhija V. A laboratory frame density matrix for ultrafast quantum molecular dynamics. The Journal of Chemical Physics. 157: 164301. PMID 36319403 DOI: 10.1063/5.0109607  0.715
2022 Schuurman MS, Blanchet V. Time-resolved photoelectron spectroscopy: the continuing evolution of a mature technique. Physical Chemistry Chemical Physics : Pccp. PMID 35297909 DOI: 10.1039/d1cp05885a  0.415
2022 MacDonell RJ, Patchkovskii S, Schuurman MS. A Comparison of Partial Atomic Charges for Electronically Excited States. Journal of Chemical Theory and Computation. 18: 1061-1071. PMID 35015528 DOI: 10.1021/acs.jctc.1c01101  0.806
2022 Endo T, Neville SP, Lassonde P, Qu C, Fujise H, Fushitani M, Hishikawa A, Houston PL, Bowman JM, Légaré F, Schuurman MS, Ibrahim H. Electronic relaxation and dissociation dynamics in formaldehyde: pump wavelength dependence. Physical Chemistry Chemical Physics : Pccp. 24: 1779-1786. PMID 34985091 DOI: 10.1039/d1cp04264e  0.752
2022 Seidu I, Neville SP, MacDonell RJ, Schuurman MS. Resolving competing conical intersection pathways: time-resolved X-ray absorption spectroscopy of -1,3-butadiene. Physical Chemistry Chemical Physics : Pccp. 24: 1345-1354. PMID 34935809 DOI: 10.1039/d1cp05085k  0.812
2021 Neville SP, Schuurman MS. Removing the Deadwood from DFT/MRCI Wave Functions: The p-DFT/MRCI Method. Journal of Chemical Theory and Computation. 17: 7657-7665. PMID 34861111 DOI: 10.1021/acs.jctc.1c00959  0.728
2021 Forbes R, Neville SP, Larsen MAB, Röder A, Boguslavskiy AE, Lausten R, Schuurman MS, Stolow A. Vacuum Ultraviolet Excited State Dynamics of the Smallest Ketone: Acetone. The Journal of Physical Chemistry Letters. 8541-8547. PMID 34464141 DOI: 10.1021/acs.jpclett.1c02612  0.776
2021 Williams M, Forbes R, Weir H, Veyrinas K, MacDonell RJ, Boguslavskiy AE, Schuurman MS, Stolow A, Martinez TJ. Unmasking the -Stilbene Phantom State via Vacuum Ultraviolet Time-Resolved Photoelectron Spectroscopy and Multiple Spawning. The Journal of Physical Chemistry Letters. 6363-6369. PMID 34231356 DOI: 10.1021/acs.jpclett.1c01227  0.827
2021 Makhija V, Boguslavskiy AE, Forbes R, Veyrinas K, Wilkinson I, Lausten R, Schuurman MS, Grant ER, Stolow A. A quantum molecular movie: polyad predissociation dynamics in the VUV excited 3pσΣ state of NO. Faraday Discussions. PMID 33629690 DOI: 10.1039/d0fd00128g  0.456
2021 Zinchenko KS, Ardana-Lamas F, Seidu I, Neville SP, van der Veen J, Lanfaloni VU, Schuurman MS, Wörner HJ. Sub-7-femtosecond conical-intersection dynamics probed at the carbon K-edge. Science (New York, N.Y.). 371: 489-494. PMID 33510022 DOI: 10.1126/science.abf1656  0.761
2020 Herperger KR, Röder A, MacDonell RJ, Boguslavskiy AE, Skov AB, Stolow A, Schuurman MS. Directing excited state dynamics via chemical substitution: A systematic study of π-donors and π-acceptors at a carbon-carbon double bond. The Journal of Chemical Physics. 153: 244307. PMID 33380089 DOI: 10.1063/5.0031689  0.812
2020 Endo T, Neville SP, Wanie V, Beaulieu S, Qu C, Deschamps J, Lassonde P, Schmidt BE, Fujise H, Fushitani M, Hishikawa A, Houston PL, Bowman JM, Schuurman MS, Légaré F, et al. Capturing roaming molecular fragments in real time. Science (New York, N.Y.). 370: 1072-1077. PMID 33243885 DOI: 10.1126/science.abc2960  0.722
2020 Shin H, Liu X, Lacelle T, MacDonell RJ, Schuurman MS, Malenfant PRL, Paquet C. Mechanistic Insight into Bis(amino) Copper Formate Thermochemistry for Conductive Molecular Ink Design. Acs Applied Materials & Interfaces. PMID 32589833 DOI: 10.1021/acsami.0c08645  0.749
2020 Neville SP, Seidu I, Schuurman MS. Propagative block diagonalization diabatization of DFT/MRCI electronic states. The Journal of Chemical Physics. 152: 114110. PMID 32199420 DOI: 10.1063/1.5143126  0.736
2020 MacDonell RJ, Corrales ME, Boguslavskiy AE, Bañares L, Stolow A, Schuurman MS. Substituent effects on nonadiabatic excited state dynamics: Inertial, steric, and electronic effects in methylated butadienes. The Journal of Chemical Physics. 152: 084308. PMID 32113357 DOI: 10.1063/1.5139446  0.817
2019 Neville SP, Mirmiran A, Worth GA, Schuurman MS. Electron transfer in photoexcited pyrrole dimers. The Journal of Chemical Physics. 151: 164304. PMID 31675891 DOI: 10.1063/1.5120006  0.83
2019 Seidu I, Neville SP, Kleinschmidt M, Heil A, Marian CM, Schuurman MS. The simulation of X-ray absorption spectra from ground and excited electronic states using core-valence separated DFT/MRCI. The Journal of Chemical Physics. 151: 144104. PMID 31615239 DOI: 10.1063/1.5110418  0.786
2019 Neville SP, Schuurman MS. Efficient calculation of X-ray absorption spectra using Chebyshev-Slepian filter diagonalisation. The Journal of Chemical Physics. 150: 184115. PMID 31091936 DOI: 10.1063/1.5092975  0.729
2019 MacDonell RJ, Schuurman MS. Site-Selective Isomerization of Cyano-Substituted Butadienes: Chemical Control of Nonadiabatic Dynamics. The Journal of Physical Chemistry. A. PMID 31050897 DOI: 10.1021/acs.jpca.9b02446  0.805
2018 Neville SP, Schuurman MS. A general approach for the calculation and characterization of x-ray absorption spectra. The Journal of Chemical Physics. 149: 154111. PMID 30342441 DOI: 10.1063/1.5048520  0.757
2018 Neville SP, Stolow A, Schuurman MS. Vacuum ultraviolet excited state dynamics of the smallest ring, cyclopropane. I. A reinterpretation of the electronic spectrum and the effect of intensity borrowing. The Journal of Chemical Physics. 149: 144310. PMID 30316278 DOI: 10.1063/1.5044392  0.788
2018 Coates MR, Larsen MAB, Forbes R, Neville SP, Boguslavskiy AE, Wilkinson I, Sølling TI, Lausten R, Stolow A, Schuurman MS. Vacuum ultraviolet excited state dynamics of the smallest ring, cyclopropane. II. Time-resolved photoelectron spectroscopy and dynamics. The Journal of Chemical Physics. 149: 144311. PMID 30316260 DOI: 10.1063/1.5044402  0.76
2018 Neville SP, Chergui M, Stolow A, Schuurman MS. Ultrafast X-Ray Spectroscopy of Conical Intersections. Physical Review Letters. 120: 243001. PMID 29956989 DOI: 10.1103/Physrevlett.120.243001  0.778
2018 Boguslavskiy AE, Schalk O, Gador N, Glover WJ, Mori T, Schultz T, Schuurman MS, Martínez TJ, Stolow A. Excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene. I. Time-resolved photoelectron-photoion coincidence spectroscopy. The Journal of Chemical Physics. 148: 164302. PMID 29716221 DOI: 10.1063/1.5016452  0.441
2018 Glover WJ, Mori T, Schuurman MS, Boguslavskiy AE, Schalk O, Stolow A, Martínez TJ. Excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene. II. Ab initio multiple spawning simulations. The Journal of Chemical Physics. 148: 164303. PMID 29716209 DOI: 10.1063/1.5018130  0.44
2018 Schuurman MS, Stolow A. Dynamics at Conical Intersections. Annual Review of Physical Chemistry. PMID 29490199 DOI: 10.1146/Annurev-Physchem-052516-050721  0.453
2018 Neville SP, Schuurman MS. Efficient Solution of the Electronic Eigenvalue Problem Using Wavepacket Propagation. Journal of Chemical Theory and Computation. PMID 29394052 DOI: 10.1021/Acs.Jctc.7B01258  0.716
2016 Neville SP, Averbukh V, Ruberti M, Yun R, Patchkovskii S, Chergui M, Stolow A, Schuurman MS. Excited state X-ray absorption spectroscopy: Probing both electronic and structural dynamics. The Journal of Chemical Physics. 145: 144307. PMID 27782524 DOI: 10.1063/1.4964369  0.794
2016 Neville SP, Averbukh V, Patchkovskii S, Ruberti M, Yun R, Chergui M, Stolow A, Schuurman MS. Beyond structure: ultrafast X-ray absorption spectroscopy as a probe of non-adiabatic wavepacket dynamics. Faraday Discussions. PMID 27711817 DOI: 10.1039/C6Fd00117C  0.79
2016 Neville SP, Wang Y, Boguslavskiy AE, Stolow A, Schuurman MS. Substituent effects on dynamics at conical intersections: Allene and methyl allenes. The Journal of Chemical Physics. 144: 014305. PMID 26747804 DOI: 10.1063/1.4938561  0.79
2015 Schuurman MS, Giegerich J, Pachner K, Lang D, Kiendl B, MacDonell RJ, Krueger A, Fischer I. Photodissociation Dynamics of Cyclopropenylidene, c-C3 H2. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 14486-95. PMID 26385048 DOI: 10.1002/chem.201501624  0.832
2014 Matsika S, Schaefer HF, Schuurman MS. Tribute to David R. Yarkony. The Journal of Physical Chemistry. A. 118: 11837. PMID 25547127 DOI: 10.1021/Jp512064B  0.448
2014 Patchkovskii S, Schuurman MS. Short-time dynamics at a conical intersection in high-harmonic spectroscopy. The Journal of Physical Chemistry. A. 118: 12069-79. PMID 25314638 DOI: 10.1021/jp5090444  0.352
2014 Wang K, McKoy V, Hockett P, Schuurman MS. Time-resolved photoelectron spectra of CS2: dynamics at conical intersections. Physical Review Letters. 112: 113007. PMID 24702364 DOI: 10.1103/PhysRevLett.112.113007  0.306
2014 Schalk O, Schuurman MS, Wu G, Lang P, Mucke M, Feifel R, Stolow A. Internal conversion versus intersystem crossing: what drives the gas phase dynamics of cyclic α,β-enones? The Journal of Physical Chemistry. A. 118: 2279-87. PMID 24641704 DOI: 10.1021/Jp4124937  0.373
2013 Schalk O, Boguslavskiy AE, Schuurman MS, Brogaard RY, Unterreiner AN, Wrona-Piotrowicz A, Werstiuk NH, Stolow A. Substituent effects on dynamics at conical intersections: cycloheptatrienes. The Journal of Physical Chemistry. A. 117: 10239-47. PMID 24011338 DOI: 10.1021/Jp309875M  0.442
2012 Mori T, Glover WJ, Schuurman MS, Martinez TJ. Role of Rydberg states in the photochemical dynamics of ethylene. The Journal of Physical Chemistry. A. 116: 2808-18. PMID 22148837 DOI: 10.1021/Jp2097185  0.421
2011 Boguslavskiy AE, Schuurman MS, Townsend D, Stolowu A. Non-Born-Oppenheimer wavepacket dynamics in polyatomic molecules: vibrations at conical intersections in DABCO. Faraday Discussions. 150: 419-38; discussion 5. PMID 22457959 DOI: 10.1039/C0Fd00033G  0.413
2011 Wu G, Boguslavskiy AE, Schalk O, Schuurman MS, Stolow A. Ultrafast non-adiabatic dynamics of methyl substituted ethylenes: the π3s Rydberg state. The Journal of Chemical Physics. 135: 164309. PMID 22047241 DOI: 10.1063/1.3652966  0.416
2011 Schalk O, Boguslavskiy AE, Stolow A, Schuurman MS. Through-bond interactions and the localization of excited-state dynamics. Journal of the American Chemical Society. 133: 16451-8. PMID 21851118 DOI: 10.1021/Ja1114002  0.413
2011 Dillon J, Yarkony DR, Schuurman MS. On the simulation of photoelectron spectra complicated by conical intersections: higher-order effects and hot bands in the photoelectron spectrum of triazolide (CH)2N3(-). The Journal of Chemical Physics. 134: 184314. PMID 21568513 DOI: 10.1063/1.3587094  0.722
2011 Dillon J, Yarkony DR, Schuurman MS. On the construction of quasidiabatic state representations of bound adiabatic state potential energy surfaces coupled by accidental conical intersections: incorporation of higher order terms. The Journal of Chemical Physics. 134: 044101. PMID 21280681 DOI: 10.1063/1.3523344  0.773
2009 Papas BN, Schuurman MS, Yarkony DR. The simulated photoelectron spectrum of 1-propynide. The Journal of Chemical Physics. 130: 064306. PMID 19222277 DOI: 10.1063/1.3072621  0.667
2008 Papas BN, Schuurman MS, Yarkony DR. Determining quasidiabatic coupled electronic state Hamiltonians using derivative couplings: A normal equations based method. The Journal of Chemical Physics. 129: 124104. PMID 19045003 DOI: 10.1063/1.2978389  0.666
2008 Schuurman MS, Yarkony DR. A simulation of the photoelectron spectrum of pyrazolide. The Journal of Chemical Physics. 129: 064304. PMID 18715066 DOI: 10.1063/1.2961042  0.699
2008 Schuurman MS, Yarkony DR. A method to reduce the size of the vibronic basis employed in the simulation of spectra using the multimode vibronic coupling approximation. The Journal of Chemical Physics. 128: 044119. PMID 18247942 DOI: 10.1063/1.2826380  0.685
2007 Schuurman MS, Weinberg DE, Yarkony DR. On the simulation of photoelectron spectra in molecules with conical intersections and spin-orbit coupling: the vibronic spectrum of CH3S. The Journal of Chemical Physics. 127: 104309. PMID 17867749 DOI: 10.1063/1.2764052  0.66
2007 Schuurman MS, Yarkony DR. On the vibronic coupling approximation: a generally applicable approach for determining fully quadratic quasidiabatic coupled electronic state Hamiltonians. The Journal of Chemical Physics. 127: 094104. PMID 17824729 DOI: 10.1063/1.2756540  0.679
2007 Schuurman MS, Yarkony DR. On the locus of points of conical intersection: seams near seams. The Journal of Chemical Physics. 126: 044104. PMID 17286459 DOI: 10.1063/1.2430718  0.6
2006 Schuurman MS, Yarkony DR. On the characterization of three-state conical intersections using a group homomorphism approach: the two-state degeneracy spaces. The Journal of Physical Chemistry. B. 110: 19031-9. PMID 16986900 DOI: 10.1021/Jp0607216  0.676
2006 Schuurman MS, Yarkony DR. On the characterization of three state conical intersections using a group homomorphism approach: mapping the full N-5 dimensional seam space. The Journal of Chemical Physics. 124: 244103. PMID 16821969 DOI: 10.1063/1.2206185  0.663
2006 Schuurman MS, Yarkony DR. On the characterization of three state conical intersections: a quasianalytic theory using a group homomorphism approach. The Journal of Chemical Physics. 124: 124109. PMID 16599664 DOI: 10.1063/1.2178301  0.667
2005 Schuurman MS, Allen WD, Schaefer HF. The ab initio limit quartic force field of BH3. Journal of Computational Chemistry. 26: 1106-12. PMID 15934063 DOI: 10.1002/Jcc.20238  0.531
2005 Schuurman MS, Allen WD, Schleyer Pv, Schaefer HF. The highly anharmonic BH5 potential energy surface characterized in the ab initio limit. The Journal of Chemical Physics. 122: 104302. PMID 15836311 DOI: 10.1063/1.1853377  0.562
2004 Schuurman MS, Muir SR, Allen WD, Schaefer HF. Toward subchemical accuracy in computational thermochemistry: focal point analysis of the heat of formation of NCO and [H,N,C,O] isomers. The Journal of Chemical Physics. 120: 11586-99. PMID 15268193 DOI: 10.1063/1.1707013  0.551
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