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Ab initio UHF-SCF calculations on LiF2 and LiC2 charge-transfer complexes

✍ Scribed by F. Ramondo; L. Bencivenni; F. Grandinetti


Book ID
113257035
Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
237 KB
Volume
206
Category
Article
ISSN
0166-1280

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The atomic structure and structural stabilities of silicon oxycarbide SiO x C y phase formed at the SiC/SiO 2 interface were studied using ab initio pseudopotential method. The total energies and the cohesive energies of the SiO x C y at different composition: SiC, SiO 1/4 C 3/4 , SiO 1/2 C 1/2 , Si