Mechanisms of the photodissociations of single isolated methanol
The mechanisms of the photodissociation of single isolated methanol (CH3OH) molecules in the lowest singlet-excited (S1) state were systematically studied using the complete active-space second-order perturbation theory (CASPT2) and transition state theory (TST). This theoretical study focused on th...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2020-07-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0011948 |