Bulletin of the American Physical Society
2023 APS March Meeting
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session T60: Emerging Trends in Molecular Dynamics Simulations and Machine Learning VI
11:30 AM–1:54 PM,
Thursday, March 9, 2023
Room: Room 419
Sponsoring
Unit:
DCOMP
Chair: Pankaj Rajak, Argonne National Laboratory
Abstract: T60.00011 : Kinetic isotope effects for excited-state gas-phase reactions: A surface-hopping ab initio molecular dynamics study
1:30 PM–1:42 PM
Presenter:
Richard A Messerly
(Los Alamos National Laboratory)
Authors:
Richard A Messerly
(Los Alamos National Laboratory)
Brendan Gifford
(Los Alamos National Laboratory)
Ivana Gonzales
(Los Alamos National Laboratory)
Troy Holland
(Los Alamos National Laboratory)
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