دورية أكاديمية
Progressive Systematic Underestimation of Reaction Energies by the B3LYP Model as the Number of C—C Bonds Increases: Why Organic Chemists Should Use Multiple DFT Models for Calculations Involving Polycarbon Hydrocarbons.
| العنوان: | Progressive Systematic Underestimation of Reaction Energies by the B3LYP Model as the Number of C—C Bonds Increases: Why Organic Chemists Should Use Multiple DFT Models for Calculations Involving Polycarbon Hydrocarbons. |
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| المؤلفون: | Check, Catherine E., Gilbert, Thomas M. |
| المصدر: | Journal of Organic Chemistry; 11/25/2005, Vol. 70 Issue 24, p9828-9834, 7p, 2 Diagrams, 4 Charts |
| قاعدة البيانات: | Supplemental Index |
Find this issue from the American Chemical Society | تدمد: | 00223263 |
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| DOI: | 10.1021/jo051545k |