Mapping the photochemistry of cyclopentadiene: from theory to ultrafast X-ray scattering

Bertram, L; Weber, PM; Kirrander, A

Kirrander, A (通讯作者),Univ Oxford, Dept Chem, Phys & Theoret Chem Lab, South Parks Rd, Oxford OX1 3QZ, England.

FARADAY DISCUSSIONS, 2023; 244 (0): 269

Abstract

The photoinduced ring-conversion reaction when cyclopentadiene (CP) is excited at 5.10 eV is simulated using surface-hopping semiclassical trajectorie......

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