| Autor: |
Rogers, D. W., McLafferty, F. J., Podosenin, A. V. |
| Zdroj: |
The Journal of Physical Chemistry - Part A; June 26, 1997, Vol. 101 Issue: 26 p4776-4780, 5p |
| Abstrakt: |
We have obtained ΔfH298 for 11 C5 cyclic hydrocarbons by calculating ΔhydH298 and ΔisomH298 via the G2(MP2) and G2(MP2,SVP) ab initio methods, taking ΔfH298(cyclopentene) as a known reference point. The arithmetic mean deviation between G2(MP2) calculated ΔfH298 and experimental ΔfH298 values is <1 kcal mol-1 for the 5 compounds that have been studied experimentally. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
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