Ab initio surfaces of singlet and triplet methylene
โ Scribed by S. A. Alexander; Carol Mcdonald; F. A. Matsen
- Book ID
- 104581165
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 248 KB
- Volume
- 24
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Ab initio motecufar orbital cakulations on isomers with the molecular formula CSiFz arc reported at the 3-21G//3-21G and 6-3 lG\*//3-21G ievefs of theory for both the sir&et and triplet energy surfaces wd the results are compared wit11 those for the CSifia surfzrces.
SC& results of appror;imate ab initio calctilations oi the "correlai.ion~' contribution to the true parameters of the pi electron hamiltonian XC presented fok the ethylenk.moiccule. In particular. by using sum-of-the-pairs type generalized perturbation theory, it is shown that there is a large core