Pseudopotentials for hybridized carbon atoms
β Scribed by J. Drujon; Y. Carissan
- Book ID
- 115558613
- Publisher
- John Wiley and Sons
- Year
- 2012
- Tongue
- English
- Weight
- 871 KB
- Volume
- 34
- Category
- Article
- ISSN
- 0192-8651
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
A pscudopotcnhal tcchquc IS prcscntcd IO bc used w~lli P smglc lunctron constructed from three pruu~l~c GTOs for the rcprcxntatlon of d orbrtals of tiansltron-metal atoms. Apphcd to Cu, Cuz. and CUT, It has pcrmlttcd 3 ruducllon In the number of 3d-type CT0 prunwcs without reducmg the quabty of the
Theoretical evidence is presented for the stability or C,21, and C,, molaulcs consisting or sp2 hy-hridiztd cnrhon ;11oms onI)-. These spherical shell molecules have the s~ruc~urcs or two or the thirteen Archimsdcan solids. Simple Hijckel molecular orhim calculations show thar there is a large. stab