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Michael S. Schuurman

national research council canada

26H指数
150论文数
2.8K被引数
收录论文 48
发表时间
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Few-femtosecond photoelectron spectroscopy reveals fundamental photodynamics of the carbon-carbon double bond in ethylene飞秒光电子能谱揭示了乙烯中碳-碳双键的基本光动力学
errNature Communications
IF15.7
err2026-07-23
err0
errOAAI
errArnab Sen; Simon P. Neville; Martin Kretschmar; Martha Yaghoubi Jouybari; Rostyslav Danylo; José R. C. Andrade; Marc J. J. Vrakking; Albert Stolow; Tamas Nagy; Michael S. Schuurman; Arnaud Rouzée
err分享
err收藏
The Simulation of X-ray Absorption Spectra Including Vibronic Coupling: Application of the QD-DFT/MRCI(2) Method包含振动耦合的X射线吸收光谱模拟：QD-DFT/MRCI(2)方法的应用
errPhys. Chem. Chem. Phys.
IF0
err2025-10-16
err0
errOAAI
errMartha Yaghoubi Jouybari; Simon Neville; Michael S. Schuurman
err分享
err收藏
Minimum Energy Conical Intersection Optimization Using DFT/MRCI(2)
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-01-29
err0
errOAAI
errWang, Tzu Yu; Neville, Simon P.; Schuurman, Michael S.
err分享
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A DFT/MRCI Hamiltonian parameterized using only ab initio data. II. Core-excited states
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-09-20
err1
PREAI
errCostain, Teagan Shane; Rolston, Jibrael B.; Neville, Simon P.; Schuurman, Michael S.
err分享
err收藏
Calculation of quasi-diabatic states within the DFT/MRCI(2) framework: The QD-DFT/MRCI(2) method
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-06-20
err1
PREAI
errNeville, Simon P.; Schuurman, Michael S.
err分享
err收藏
A DFT/MRCI Hamiltonian parameterized using only ab initio data: I. valence excited states
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-06-10
err5
PREAI
errCostain, Teagan Shane; Ogden, Victoria; Neville, Simon P.; Schuurman, Michael S.
err分享
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X-ray induced Coulomb explosion imaging of transient excited-state structural rearrangements in CS2
errCOMMUNICATIONS PHYSICS
IF5.8
err2023-10-20
err7
errOAAI
errUnwin, James; Allum, Felix; Britton, Mathew; Gabalski, Ian; Bromberger, Hubertus; Brouard, Mark; Bucksbaum, Philip H.; Driver, Taran; Ekanayake, Nagitha; Garg, Diksha; Gougoula, Eva; Heathcote, David; Howard, Andrew J.; Hockett, Paul; Holland, David M. P.; Kumar, Sonu; Lam, Chow-shing; Lee, Jason W. L.; Mcmanus, Joseph; Mikosch, Jochen; Milesevic, Dennis; Minns, Russell S.; Papadopoulou, Christina C.; Passow, Christopher; Razmus, Weronika O.; Roeder, Anja; Rouzee, Arnaud; Schuurman, Michael; Simao, Alcides; Stolow, Albert; Tul-Noor, Atia; Vallance, Claire; Walmsley, Tiffany; Rolles, Daniel; Erk, Benjamin; Burt, Michael; Forbes, Ruaridh
err分享
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A perturbative approximation to DFT/MRCI: DFT/MRCI(2)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-10-25
err8
errOAAI
errNeville, Simon P.; Schuurman, Michael S.
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A laboratory frame density matrix for ultrafast quantum molecular dynamics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-10-24
err3
errOAAI
errGregory, Margaret; Neville, Simon; Schuurman, Michael; Makhija, Varun
err分享
err收藏
A Comparison of Partial Atomic Charges for Electronically Excited States
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-01-11
err5
errOAAI
errMacDonell, Ryan J.; Patchkovskii, Serguei; Schuurman, Michael S.
err分享
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Removing the Deadwood from DFT/MRCI Wave Functions: The p-DFT/MRCI Method
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-12-03
err8
errOAAI
errNeville, Simon P.; Schuurman, Michael S.
err分享
err收藏
A quantum molecular movie: polyad predissociation dynamics in the VUV excited 3pσ2Σu state of NO2
errFARADAY DISCUSSIONS
IF3.1
err2021-01-01
err3
PREAI
errMakhija, Varun; Boguslavskiy, Andrey E.; Forbes, Ruaridh; Veyrinas, Kevin; Wilkinson, Iain; Lausten, Rune; Schuurman, Michael S.; Grant, Edward R.; Stolow, Albert
err分享
err收藏
Directing excited state dynamics via chemical substitution: A systematic study of π-donors and π-acceptors at a carbon-carbon double bond
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-12-28
err3
PREAI
errHerperger, Katherine R.; Roder, Anja; MacDonell, Ryan J.; Boguslavskiy, Andrey E.; Skov, Anders B.; Stolow, Albert; Schuurman, Michael S.
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Mechanistic Insight into Bis(amino) Copper Formate Thermochemistry for Conductive Molecular Ink Design用于导电分子墨水设计的双 (氨基) 甲酸铜热化学的机理洞察
errACS APPLIED MATERIALS & INTERFACES
IF8.2
err2020-06-26
err17
PREAI
errShin, Homin; Liu, Xiangyang; Lacelle, Thomas; MacDonell, Ryan J.; Schuurman, Michael S.; Malenfant, Patrick R. L.; Paquet, Chantal
err分享
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Propagative block diagonalization diabatization of DFT/MRCI electronic states
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-03-18
err12
PREAI
errNeville, Simon P.; Seidu, Issaka; Schuurman, Michael S.
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Substituent effects on nonadiabatic excited state dynamics: Inertial, steric, and electronic effects in methylated butadienes
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-02-27
err7
PREAI
errMacDonell, Ryan J.; Corrales, Maria E.; Boguslavskiy, Andrey E.; Banares, Luis; Stolow, Albert; Schuurman, Michael S.
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Electron transfer in photoexcited pyrrole dimers
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-10-24
err2
errOAAI
errNeville, Simon P.; Mirmiran, Adam; Worth, Graham A.; Schuurman, Michael S.
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The simulation of X-ray absorption spectra from ground and excited electronic states using core-valence separated DFT/MRCI
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-10-08
err27
PREAI
errSeidu, Issaka; Neville, Simon P.; Kleinschmidt, Martin; Heil, Adrian; Marian, Christel M.; Schuurman, Michael S.
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Efficient calculation of X-ray absorption spectra using Chebyshev-Slepian filter diagonalisation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-05-14
err1
PREAI
errNeville, Simon P.; Schuurman, Michael S.
err分享
err收藏
A general approach for the calculation and characterization of x-ray absorption spectra
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-10-19
err16
PREAI
errNeville, Simon P.; Schuurman, Michael S.
err分享
err收藏

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