| Autor: |
Rao, P. Venkata Ramana, Srishailam, K., Ravindranath, L. |
| Předmět: |
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| Zdroj: |
AIP Conference Proceedings; 2024, Vol. 2971 Issue 1, p1-6, 6p |
| Abstrakt: |
Proton (1H) and Carbon (13C) Nuclear magnetic resonance and Ultraviolet-Visible spectrum was simulated for (1R*,2R*,4S*)-5-(5,5-Dimethyl-1,3-dioxan-2-yl)-8, 8-dimethoxy-7-oxobicyclo [2.2.2] oct-5en-2-yl Cyanide (DDO). By using Gauge Independent Atomic Orbital method, chemical shifts were generated and compared with its corresponding experimental values DDO. To understand the origin of chemical reactivity and Ultraviolet-Visible spectrum, FMO parameters measured. Non-linear optical parameters were calculated. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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