A THEORETICAL-STUDY OF TRIATOMIC CARBON SILICON MIXED CLUSTERS - RELATIVE ENERGIES AND BINDING-ENERGIES

Authors
DEUTSCH PW CURTISS LA
Citation
Pw. Deutsch et La. Curtiss, A THEORETICAL-STUDY OF TRIATOMIC CARBON SILICON MIXED CLUSTERS - RELATIVE ENERGIES AND BINDING-ENERGIES, Chemical physics letters, 226(3-4), 1994, pp. 387-391
Citations number
35
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
226
Issue
3-4
Year of publication
1994
Pages
387 - 391
Database
ISI
SICI code
0009-2614(1994)226:3-4<387:ATOTCS>2.0.ZU;2-X
Abstract
The Gaussian-2 (G2) theoretical procedure, based on ab initio molecula r orbital theory, is used to calculate the energies of mixed triatomic clusters of carbon and silicon. The G2 energies are used to derive ac curate binding energies which are compared with experimental values.