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...
Saved in:
Main Authors: | Zabidi, Noriza Ahmad, Rosli, Ahmad Nazrul, Kassim, Hasan Abu, Shrivastava, Keshav N. |
---|---|
Format: | Article |
Published: |
Faculty of Science, University of Malaya
2010
|
Subjects: | |
Online Access: | http://eprints.um.edu.my/13226/ https://mjs.um.edu.my/article/view/7623/5235 |
Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
-
Magnetization and electronic structure of FeAs layered material
by: Zabidi, Noriza Ahmad, et al.
Published: (2011) -
Density functional theory simulation of magnetism due to atomic vacancies in graphene using siesta
by: Jarkoni, Norshila
Published: (2013) -
Crossing points in the electronic band structure of vanadium
oxide
by: Zabidi, Noriza A., et al.
Published: (2010) -
Spectroscopic (UV/VIS, Raman) and Electrophoresis Study of Cytosine-Guanine Oligonucleotide DNA Influenced by Magnetic Field
by: Banihashemian, S.M., et al.
Published: (2016) -
DFT calculation of vibrations in the clusters of zinc and oxygen atoms
by: Ahmad Nazrul Rosli,, et al.
Published: (2013)