14 results on '"Neville, Simon P."'
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2. A perturbative approximation to DFT/MRCI: DFT/MRCI(2)
3. Propagative block diagonalization diabatization of DFT/MRCI electronic states
4. Electron transfer in photoexcited pyrrole dimers
5. The simulation of X-ray absorption spectra from ground and excited electronic states using core-valence separated DFT/MRCI
6. Efficient calculation of X-ray absorption spectra using Chebyshev-Slepian filter diagonalisation
7. A general approach for the calculation and characterization of x-ray absorption spectra
8. Vacuum ultraviolet excited state dynamics of the smallest ring, cyclopropane. II. Time-resolved photoelectron spectroscopy and ab initio dynamics
9. Vacuum ultraviolet excited state dynamics of the smallest ring, cyclopropane. I. A reinterpretation of the electronic spectrum and the effect of intensity borrowing
10. Dynamics in higher lying excited states: Valence to Rydberg transitions in the relaxation paths of pyrrole and methylated derivatives
11. Excited state X-ray absorption spectroscopy: Probing both electronic and structural dynamics
12. Substituent effects on dynamics at conical intersections: Allene and methyl allenes
13. Excited state non-adiabatic dynamics of N-methylpyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics study
14. Excited state non-adiabatic dynamics of pyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics study
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