An ab initio study of ammonia-hydrocarbon complexes
โ Scribed by A.-M. Sapse; Duli C. Jain
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 429 KB
- Volume
- 124
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
HCuCO is studied using a large Gaussian basis set at the coupled cluster singles and doubles level of theory, including a perturbational estimate of the connected triples (CCSD( T) ). In contrast with C&O, HCuCO is linear. The Cu-CO bond in HCuCO is significantly stronger than in CuCO. These differe
The structure and propertIes of three lithmm-bonded complexes. HsN.. LIH, CzHa... LW, CzH, .-LiH, and tire hydrogenbonded analogues. H,N ..HF and CzHz J-IF, hare been investigated at the SCF double-zeta plus polarization Ievel. The changes of several properties of LI-bonded comple\es as a function o