𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The structure and energies of C2H2P+ isomers

✍ Scribed by Robert G.A.R. Maclagan

Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
310 KB
Volume
163
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Carbodications. I. The structures and en
Carbodications. I. The structures and energies of C4H isomers
✍ Jayaraman Chandrasekhar; Paul Von RaguΓ© Schleyer; Karsten Krogh-Jespersen πŸ“‚ Article πŸ“… 1981 πŸ› John Wiley and Sons 🌐 English βš– 393 KB

At high levels of ab initio theory (6-31G\*//4-31G), the most stable C4H:' isomer is indicated to be the nonplanar cyclobutadiene dication (la); the planar form, lb, is indicated to be 7.5 kcal/mol less stable. The second most stable C4Ha' isomer, the methylenecyclopropene dication, is indicated to

Theoretical study of the Cξ—ΈH bond dissoc
Theoretical study of the Cξ—ΈH bond dissociation energies of CH4, C2H2, C2H4, and H2C2O
✍ Charles W. Bauschlicher Jr.; Stephen R. Langhoff πŸ“‚ Article πŸ“… 1991 πŸ› Elsevier Science 🌐 English βš– 554 KB

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.

Theoretical studies of selected C60H2 an
Theoretical studies of selected C60H2 and C70H2 isomers
✍ Craig C. Henderson; Celeste McMichael Rohlfing; Paul A. Cahill πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 467 KB

Semi-empirical UNDO methods predict that 2 of 23 structurally distinct C6& isomers and 4 of 143 C7uH2 isomers have particularly low heats of formation. These isomers represent either 1 ,t-addition across a 6: 6-ring fusion or 1,4-addition across a ii-ring, with both hydrogens externally bound. Fully