A correlated ab initio study of linear carbon-chain radicals CnH (n = 2-7)

Chemical Physics Letters

Volumn 244, Issue 1-2, 1995, Pages 45-52

  Woon, David E ^a  

^a MOLECULAR RESEARCH INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROCARBON;

ARTICLE; ASTRONOMY; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; HYDROGEN BOND; METHODOLOGY; NASA DISCIPLINE EXOBIOLOGY; NON-NASA CENTER; PHYSICAL CHEMISTRY;

NASA DISCIPLINE EXOBIOLOGY; NON-NASA CENTER;

ASTRONOMY; CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; HYDROCARBONS; HYDROGEN BONDING; MODELS, CHEMICAL;

EID: 0029654097     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(95)00906-K     Document Type: Article

References (33)

1. AB Initio Geometries for C 2n+1H, C 2n+1H +, and C 2n+1H 2 Species for N = 1,2,3
2. Laboratory detection of the C3N an C4H free radicals
3. Quantum chemical predictions of the electron affinities of carbon-hydrogen clusters C2nH·, the CH binding energies and the gas phase acidities of polyacetylenes C2nH2forn= 1–3
4. Collision induced dissociations of carbanions in the gas phase: the formation of vinylidene carbene intermediates from deprotonated prop-2-ynyl ethers
5. Configuration interaction calculations on the nitrogen molecule
6. Large-scale ab initio calculations for C3
7. Correlated calculations of the electron affinity of HC2