Ab-initio study of singlet and triplet excitation energies in oligothiophenes
β Scribed by E. Fabiano; F. Della Sala; R. Cingolani
- Book ID
- 104556046
- Publisher
- John Wiley and Sons
- Year
- 2004
- Tongue
- English
- Weight
- 70 KB
- Volume
- 1
- Category
- Article
- ISSN
- 1862-6351
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
For each of the X Λ3B 1 , a Λ1A 1 , and b Λ1B 1 electronic states of the BH 0 2 molecular ion we have calculated over 50 ab initio points on the potential energy surfaces using the MRD-CI method for all eight electrons. Analytical functions were fitted through the points for each state, and the func
The smglct-trlplct energy scparetion of ethj bdcnc CH3CH has been calculatedat 10 kcJl/mol bysbm~tloCl ulculatlonr It IS suggssted 1h31 triplet CHsCH -although ZI loul mimmum on rhc potcntul surl~c -docsnor cust 3s a stsble mtcr- mcdlstc spr'crcs.