Density functional theory adsorption of atoms on cytosine
The density functional theory is used to optimize the geometry of a cytosine molecule and those of several atoms including H2 molecule, placed in the centre of the hexagon of the cytosine molecule. The adsorption of all of the first group atoms H, Li, Na, K, Cs and Fr, the second group atoms, Be, Mg...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Published: |
Faculty of Science, University of Malaya
2010
|
| Subjects: |