𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A theoretical study on structure and spectroscopy of C4H2+ isomers

✍ Scribed by Gronowski, Marcin; Kołos, Robert; Krełowski, Jacek


Book ID
122073838
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
872 KB
Volume
582
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


C3H4: Theoretical study of structures an
✍ Rita Kakkar; Bhabani S. Padhi 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 626 KB

The various isomers including stable structures, carbenes, and diradicals on the C,H, surface have been investigated. The two carbenes propenylidene and cyclopropylidene have been found to have singlet ground states. Vinylmethylene is predicted to have a triplet ground state with a planar diradical

Structures and stabilities of C3H4O+˙ is
✍ Michael L. McKee; Leo Radom 📂 Article 📅 1993 🏛 John Wiley and Sons 🌐 English ⚖ 577 KB

Six stable isomers and two transition structures were characterized on the C3H,0+' potential energy surface using the G2 procedure. Heat capacity corrections were made to allow the direct calculation of heats of formation at 1298 K. The most stable isomer is the methylketene radical cation (1, AH, 2

Theoretical studies of selected C60H2 an
✍ Craig C. Henderson; Celeste McMichael Rohlfing; Paul A. Cahill 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 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