The Reactivity Of singlet carbenes. An ab initio study
✍ Scribed by Miquel Moreno; José M. Lluch; Antonio Oliva; Juan Bertrán
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 503 KB
- Volume
- 100
- Category
- Article
- ISSN
- 0301-0104
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
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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.
Ah initio calculations are presented for the hydration eneeJ\* of the positron. Tetrahedral molecular-dipole-oriented clusters e+(H,O), are considered. In performing these calculations, the Hartree-Fock MO LCAO SCF approximation \\ith the 4-31G split-valence basis set is used. The method \kas modifi