The equilibrium structure of the cyclic C3H radical was obtained by ab initio computation. The total energy at a C~ optimum structure is lower than that of a C2v optimum structure by only l0 -4 hartree and the adiabatic potential surface for the antisymmetric motion is so flat that no locally bound
Structure and Stability of Interstellar Molecule C3S
β Scribed by Hai-Tao Yu; Hong-Gang Fu; Yu-Juan Chi; Xu-Ri Huang; Ze-Sheng Li; Jia-Zhong Sun
- Publisher
- John Wiley and Sons
- Year
- 2010
- Tongue
- English
- Weight
- 418 KB
- Volume
- 20
- Category
- Article
- ISSN
- 0256-7660
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Neutral C 3 O has been prepared by collision induced neutralisation of the precursor radical anion formed by the reaction Γ CC-CO-OEt β C 3 O ΓΓ EtO Γ . The similar neutralisation reionisation ( Γ NR ) and charge reversal (CR) spectra of C 3 O ΓΓ indicate that the potential surfaces of C 3 O and C 3
Ab initio molecular orbital theory using basis sets up to 6-311G\*\*, with electron correlation incorporated via configuration interaction calculations with single and double substitutions, has been used to study the structures and energies of the C,H, monocation and dication. In agreement with rece