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Theoretical calculation of heats of complexation in carbon tetrachloride

โœ Scribed by Gordon L. Amidon


Publisher
John Wiley and Sons
Year
1974
Tongue
English
Weight
396 KB
Volume
63
Category
Article
ISSN
0022-3549

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Theoretical calculation of carbon cluste
โœ Esther Agacino Valdes; Pablo De La Mora; Miguel Castro; Jaime Keller ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 289 KB

Structural parameters and energy have been calculated for C and C 1-3 9 clusters using density functional theory through the deMon program. The C clusters 1-3 were fully optimized using deMon; different basis sets were tested in order to choose the suitable one to be used in the C clusters. In the c