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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| Main Authors: | , , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
2023
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| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/169369 |
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| Institution: | Nanyang Technological University |
| Language: | English |