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A theoretical study of the Si-O bond in disiloxane and related molecules

✍ Scribed by Raymond J. Abraham; Guy H. Grant

Publisher
Springer Netherlands
Year
1989
Tongue
English
Weight
808 KB
Volume
2
Category
Article
ISSN
0920-654X

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πŸ“œ SIMILAR VOLUMES

Density functional study of the equilibr
Density functional study of the equilibrium geometry and Si-O-Si potential energy curve of disiloxane
✍ GΓ‘bor I. Csonka; JΓ³zsef RΓ©ffy πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 645 KB

Calculations of the barrier to linearization of disiloxane using various methods (HF. MP2, CCSD(T) and DFT) with doublezeta and triple-zeta basis sets plus a single d-set yield very low or no barrier. The CCSD(T) results calculated with triple-zeta basis sets plus a single d-set is in agreement with