The successive C-H bond dissociation energies of CH,, &Hz. C2H4, and H&O (ketene) are determined using large basis sets and a high level of correlation treatment. For CHI, C2H2, and C2H4 the computed values are in excellent agreement with experiment. Using our results we recommend 107.9 +2.0 and 96.
Adsorption of H, CH3, CH2 and C2H2 on 2 × 1 restructured diamond (100) : Theoretical study of structures, bonding and migration
✍ Scribed by S.P. Mehandru; Alfred B. Anderson
- Publisher
- Elsevier Science
- Year
- 1991
- Weight
- 73 KB
- Volume
- 248
- Category
- Article
- ISSN
- 0167-2584
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📜 SIMILAR VOLUMES
Excess molar heat capacities and excess molar volumes of \(\left\{x_{1} \mathrm{CH}_{3}\left(\mathrm{CH}_{2}\right)_{3} \mathrm{CH}_{3}+\right.\) \(\left.x_{2} \mathrm{CH}_{3} \mathrm{C}\left(\mathrm{CH}_{3}\right)_{2} \mathrm{CH}_{2} \mathrm{CH}\left(\mathrm{CH}_{3}\right) \mathrm{CH}_{3}+x_{3} \ma
Experimental excess molar heat capacities and excess molar volumes of all possibie ternary mixtures from \(\left\{x_{1} \mathrm{CH}_{3}\left(\mathrm{CH}_{2}\right)_{5} \mathrm{CH}_{3}+x_{2} \mathrm{CH}_{3} \mathrm{C}\left(\mathrm{CH}_{3}\right)_{2} \mathrm{CH}_{2} \mathrm{CH}\left(\mathrm{CH}_{3}\ri