Loading...
Please wait, while we are loading the content...
Similar Documents
An ab initio study of the C 2 H 2 HF , C 2 H ( CH 3 ) HF and C 2 ( CH 3 ) 2 HF hydrogen-bonded complexes
| Content Provider | Semantic Scholar |
|---|---|
| Author | Ramos, Mozart N. Lopes, Kelson Carvalho Silva, Washington L. V. Tavares, Alessandra M. Castriani, Fátima A. Monte, Silmar Andrade Do Ventura, Elizete Araújo, Regiane C. M. U. |
| Copyright Year | 2006 |
| Abstract | MP2/6-31++G** and B3LYP/6-31++G** ab initio molecular orbital calculations have been performed in order to obtain molecular geometries, binding energies and vibrational properties of the C 2H2 HF, C2H(CH3) HF and C2(CH3)2 HF H-bonded complexes. As expected, t b ncorrected B after BSSE c plexes as w en-bonding s opy in the h tion a ted through t the Alkyne s res. © |
| File Format | PDF HTM / HTML |
| Alternate Webpage(s) | http://www.repositorio.ufop.br/bitstream/123456789/5540/1/ARTIGO_InitioStudyHydrogen.pdf |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
