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Density functional study of tricyclo[3,3,1,13,7]decane and tricyclo[3,3,1,13,7]decsilane and their halogen derivatives

✍ Scribed by Li-Hwa Lu

Publisher
John Wiley and Sons
Year
1999
Tongue
English
Weight
186 KB
Volume
72
Category
Article
ISSN
0020-7608

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✦ Synopsis

10 12 4 10 12 4

Ionization potentials, HOMO and LUMO energies, energy gaps, heats of formation, atomization energies, and vibration frequencies were calculated. These calculations w 3,7 x indicate that these molecules are stable and have T symmetry. Tricyclo 3,3,1,1 decd Ε½ . silane and its halogen derivatives Si H X are found to have higher conductivity than 10 12 4

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