Nonadiabatic kinetics in the intermediate coupling regime: comparing molecular dynamics to an energy grained master equation

Autor: Shchepanovska, Darya, Shannon, Robin J., Curchod, Basile F. E., Glowacki, David R.

Here we outline and test an extension of the energy grained master equation (EGME) for treating nonadiabatic (NA) hopping between different potential energy surfaces, which enables us to model the competition between stepwise collisional relaxation a

Externí odkaz: http://arxiv.org/abs/2101.10796

Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.

Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.

Nile Red Fluorescence: Where's the Twist?

Autor: Gajo C; School of Chemistry, Cantock's Close, University of Bristol, Bristol BS8 1TS, U.K., Shchepanovska D; School of Chemistry, Cantock's Close, University of Bristol, Bristol BS8 1TS, U.K., Jones JF; School of Chemistry, Cantock's Close, University of Bristol, Bristol BS8 1TS, U.K., Karras G; Central Laser Facility, Science and Technology Facilities Council, Research Complex at Harwell, Rutherford Appleton Laboratory, Didcot, Oxfordshire OX11 0QX, U.K., Malakar P; Central Laser Facility, Science and Technology Facilities Council, Research Complex at Harwell, Rutherford Appleton Laboratory, Didcot, Oxfordshire OX11 0QX, U.K., Greetham GM; Central Laser Facility, Science and Technology Facilities Council, Research Complex at Harwell, Rutherford Appleton Laboratory, Didcot, Oxfordshire OX11 0QX, U.K., Hawkins OA; School of Chemistry, Cantock's Close, University of Bristol, Bristol BS8 1TS, U.K., Jordan CJC; School of Chemistry, Cantock's Close, University of Bristol, Bristol BS8 1TS, U.K., Curchod BFE; School of Chemistry, Cantock's Close, University of Bristol, Bristol BS8 1TS, U.K., Oliver TAA; School of Chemistry, Cantock's Close, University of Bristol, Bristol BS8 1TS, U.K.

Publikováno v: The journal of physical chemistry. B [J Phys Chem B] 2024 Nov 14. Date of Electronic Publication: 2024 Nov 14.