Search filters

List of works by Michael S Schuurman

A Comparison of Partial Atomic Charges for Electronically Excited States

scientific article published on 11 January 2022

A general approach for the calculation and characterization of x-ray absorption spectra

article

Beyond structure: ultrafast X-ray absorption spectroscopy as a probe of non-adiabatic wavepacket dynamics.

scientific article published on 19 September 2016

Capturing roaming molecular fragments in real time

scientific article published on 01 November 2020

Directing excited state dynamics via chemical substitution: A systematic study of π-donors and π-acceptors at a carbon-carbon double bond

scientific article published on 01 December 2020

Efficient calculation of X-ray absorption spectra using Chebyshev-Slepian filter diagonalisation

scientific article published on 01 May 2019

Electron transfer in photoexcited pyrrole dimers

scientific article published on 01 October 2019

Excited state X-ray absorption spectroscopy: Probing both electronic and structural dynamics

scientific article published in October 2016

Excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene. I. Time-resolved photoelectron-photoion coincidence spectroscopy

scientific article published on 28 April 2018

Excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene. II. Ab initio multiple spawning simulations.

scientific article

Non-Born–Oppenheimer wavepacket dynamics in polyatomic molecules: vibrations at conical intersections in DABCO ⬇️

scientific article published on January 1, 2011

On the construction of quasidiabatic state representations of bound adiabatic state potential energy surfaces coupled by accidental conical intersections: Incorporation of higher order terms ⬇️

scientific article published on January 28, 2011

On the simulation of photoelectron spectra complicated by conical intersections: Higher-order effects and hot bands in the photoelectron spectrum of triazolide (CH)2N3− ⬇️

scientific article published on May 14, 2011

Propagative block diagonalization diabatization of DFT/MRCI electronic states

scientific article published on 01 March 2020

Site-Selective Isomerization of Cyano-Substituted Butadienes: Chemical Control of Nonadiabatic Dynamics

scientific article published on 22 May 2019

Substituent effects on nonadiabatic excited state dynamics: Inertial, steric, and electronic effects in methylated butadienes

scientific article published on 01 February 2020

The simulation of X-ray absorption spectra from ground and excited electronic states using core-valence separated DFT/MRCI

scientific article published on 01 October 2019

Vacuum ultraviolet excited state dynamics of the smallest ring, cyclopropane. I. A reinterpretation of the electronic spectrum and the effect of intensity borrowing

article

Vacuum ultraviolet excited state dynamics of the smallest ring, cyclopropane. II. Time-resolved photoelectron spectroscopy and dynamics

article

Paulina is supported by:

About Paulina

Help