Solvent effect on excited states of merocyanines: A theoretical study using the RISM–SCF method
✍ Scribed by Tanaka, Yuichi; Yoshida, Norio; Nakano, Haruyuki
- Book ID
- 121258104
- Publisher
- Elsevier Science
- Year
- 2013
- Tongue
- English
- Weight
- 938 KB
- Volume
- 583
- Category
- Article
- ISSN
- 0009-2614
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📜 SIMILAR VOLUMES
We have performed the relativistic molecular orbital calculations for the ground and UV excited states of UF6, using the discrete-variational Dirac-Slater method. For the ground state of UF6, the formation of the U-F bonding is explained by the relativistic MOs, in contrast to the non-relativistic M
## Abstract Molecular structure, first excited state properties and charge distribution of a series of substituted stilbazolium cations in different media are theoretically investigated. First static hyperpolarizability (β~0~) of considered compounds is studied by both finite‐field and two‐state mo