Structure of the Conical Intersections Driving the cis—trans Photoisomerization of Conjugated Molecules
✍ Scribed by Diego Sampedro Ruiz; Alessandro Cembran; Marco Garavelli; Massimo Olivucci; Werner Fuss
- Publisher
- John Wiley and Sons
- Year
- 2003
- Weight
- 4 KB
- Volume
- 34
- Category
- Article
- ISSN
- 0931-7597
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📜 SIMILAR VOLUMES
An efficient procedure is presented for calculating analytic gradients in the framework of a semiempirical multireference configuration interaction method. The same algorithm is used to locate the lowest energy point of a conical intersection by the direct method of Bearpark et al. (Chem Phys Lett 1
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