| dc.contributor.author | Roy, Ram Kinkar | |
| dc.date.accessioned | 2021-10-12T11:32:30Z | |
| dc.date.available | 2021-10-12T11:32:30Z | |
| dc.date.issued | 2015 | |
| dc.identifier.uri | https://pubs.acs.org/doi/10.1021/acs.jpcc.5b04948 | |
| dc.identifier.uri | http://dspace.bits-pilani.ac.in:8080/xmlui/handle/123456789/2724 | |
| dc.description.abstract | The thermodynamic and kinetic aspects associated with the interaction of small gold clusters (Aun, where n = 3–6) with nucleobases are assessed using a density functional reactivity theory based comprehensive decomposition analysis of stabilization energy scheme. It is observed that the trend of interaction between Aun clusters and nucleobases follows the order G > A > C > T > U. Also, the Watson–Crick base pair GC interacts with Aun clusters more preferably than that of the AT pair. The observed trend is further supported by conventional binding energy and transition-state calculations at B3PW91 and MP2 levels. | en_US |
| dc.language.iso | en | en_US |
| dc.publisher | ACS | en_US |
| dc.subject | Chemistry | en_US |
| dc.subject | Nucleobases | en_US |
| dc.subject | Gold | en_US |
| dc.subject | Metal clusters | en_US |
| dc.subject | Energy | en_US |
| dc.title | Interaction between Small Gold Clusters and Nucleobases: A Density Functional Reactivity Theory Based Study | en_US |
| dc.type | Article | en_US |
| Files | Size | Format | View |
|---|---|---|---|
|
There are no files associated with this item. |
|||