Mode-dependent H atom tunneling dynamics of the S₁ phenol is resolved by the simple topographic view of the potential energy surfaces along the conical intersection seam

Mode-dependent H atom tunneling dynamics of the S₁ phenol is resolved by the simple topographic view of the potential energy surfaces along the conical intersection seam

Mode-dependent H atom tunneling dynamics of the O-H bond predissociation of the S1 phenol has been theoretically analyzed. As the tunneling is governed by the complicated multi-dimensional potential energy surfaces that are dynamically shaped by the upper-lying S1(ππ*)/S2(πσ*) conical intersection,...

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Bibliographic Details
Main Authors: Kim, Junggil, Woo, Kyung Chul, Kim, Sang Kyu
Other Authors: School of Physical and Mathematical Sciences
Format: Journal Article
Language:English
Published: 2023
Subjects:
Science::Chemistry
Molecular Physics
Potential Energy
Online Access:https://hdl.handle.net/10356/169369

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