35 results on '"Neville, Simon P."'
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2. A DFT/MRCI Hamiltonian parameterized using only ab initio data: I. valence excited states
3. Ultrafast Molecular Frame Quantum Tomography
4. Few-femtosecond electronic and structural rearrangements of CH4+ driven by the Jahn–Teller effect
5. Machine Learning Seams of Conical Intersection: A Characteristic Polynomial Approach
6. A perturbative approximation to DFT/MRCI: DFT/MRCI(2)
7. Formation of electronic coherences in conical intersection-mediated dynamics
8. Electronic relaxation and dissociation dynamics in formaldehyde: pump wavelength dependence
9. Conical-intersection dynamics probed at the carbon K-edge
10. Resolving competing conical intersection pathways: time-resolved X-ray absorption spectroscopy of trans-1,3-butadiene
11. Removing the Deadwood from DFT/MRCI Wave Functions: The p-DFT/MRCI Method
12. Vacuum Ultraviolet Excited State Dynamics of the Smallest Ketone: Acetone
13. Sub-7-femtosecond conical-intersection dynamics probed at the carbon K-edge
14. On the measurement of statistical dynamics using the method of Coulomb explosion imaging
15. Capturing roaming molecular fragments in real time
16. Ultrafast molecular frame electronic coherences from lab frame scattering anisotropies
17. Propagative block diagonalization diabatization of DFT/MRCI electronic states
18. Capturing Roaming Fragments in Real Time: A Molecular Road Movie
19. Electron transfer in photoexcited pyrrole dimers
20. The simulation of X-ray absorption spectra from ground and excited electronic states using core-valence separated DFT/MRCI
21. Efficient calculation of X-ray absorption spectra using Chebyshev-Slepian filter diagonalisation
22. A general approach for the calculation and characterization of x-ray absorption spectra
23. Vacuum ultraviolet excited state dynamics of the smallest ring, cyclopropane. II. Time-resolved photoelectron spectroscopy and ab initio dynamics
24. Vacuum ultraviolet excited state dynamics of the smallest ring, cyclopropane. I. A reinterpretation of the electronic spectrum and the effect of intensity borrowing
25. Ultrafast X-Ray Spectroscopy of Conical Intersections
26. Efficient Solution of the Electronic Eigenvalue Problem Using Wavepacket Propagation
27. Non-radiative relaxation dynamics of pyrrole following excitation in the range 249.5–200 nm
28. Dynamics in higher lying excited states: Valence to Rydberg transitions in the relaxation paths of pyrrole and methylated derivatives
29. Excited state X-ray absorption spectroscopy: Probing both electronic and structural dynamics
30. Identification of a new electron-transfer relaxation pathway in photoexcited pyrrole dimers
31. Substituent effects on dynamics at conical intersections: Allene and methyl allenes
32. Excited state non-adiabatic dynamics of N-methylpyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics study
33. Beyond structure: ultrafast X-ray absorption spectroscopy as a probe of non-adiabatic wavepacket dynamics
34. Electronic and non-adiabatic dynamics: general discussion
35. Excited state non-adiabatic dynamics of pyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics study
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