Quantum dynamics of photodissociation: recent advances and challenges
Recent advances in constructing accurate potential energy surfaces and nonadiabatic
couplings from high-level ab initio data have revealed detailed potential landscapes in not …
couplings from high-level ab initio data have revealed detailed potential landscapes in not …
Spiers memorial lecture: Theory of unimolecular reactions
SJ Klippenstein - Faraday Discussions, 2022 - pubs.rsc.org
One hundred years ago, at an earlier Faraday Discussion meeting, Lindemann presented a
mechanism that provides the foundation for contemplating the pressure dependence of …
mechanism that provides the foundation for contemplating the pressure dependence of …
Direct dissociative recombination of HCO+ via the core-excited doublet and the lowest quartet states
M Lehner, M Jungen - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
The dissociative recombination of HCO+ up to 1 eV collision energy is studied. New
calculations for several core-excited HCO states provide improved potential energy surfaces …
calculations for several core-excited HCO states provide improved potential energy surfaces …