| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383849 | Chemical Physics Letters | 2011 | 6 Pages |
Abstract
⺠Single-valued diabatic potential (DP) has been generated for entrance channel of F + H2. ⺠Role of conical intersections (ci) in this process has been explored. ⺠NACTs for the (1, 2) ci [found by trial and error] have been calculated. ⺠Quantization of the calculated (1, 2) ADT angles is demonstrated pictorially. ⺠Quantization of ADT angles has been used to guarantee the single-valued DP.
Related Topics
Physical Sciences and Engineering
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Physical and Theoretical Chemistry
Authors
Anita Das, Debasis Mukhopadhyay, Satrajit Adhikari, Michael Baer,