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Title

Applications of ionization spectroscopy to study small bio-molecules

Author(s)

Wang, Feng

Abstract

Ionization potential provides a useful quantum mechanical diagnostic for the oxidative potential of a molecule. However, to accurately predict the ionization binding energy spectra for even small biomolecules using relatively simple models is still a challenge in theoretical spectroscopy. In the progress report, recent progresses targeting core and valence binding energy spectroscopy of small bio-molecules, such as amino acids and DNNRNA bases and their fragments, are discussed using density functional theory based models.

Publication type

Journal article

Research centre

Swinburne University of Technology. Faculty of Information and Communication Technologies. Centre for Molecular Simulation

Source

Journal of Physics: Conference Series, Vol. 141 (2008)

Publication year

2008

FOR Code(s)

029901 Biological Physics;  030606 Structural Chemistry and Spectroscopy

Keyword(s)

Bio-molecules;  Ionization;  Spectroscopy

Publisher

Institute of Physics Publishing

ISSN

1742-6596

Publisher URL

http://dx.doi.org/10.1088/1742-6596/141/1/012019

Copyright

Copyright © 2008 lOP Publishing. Published version of this paper reproduced here in accordance with the copyright policy of the publisher. This is an Open Access article which permits the author unrestricted use, distribution, and reproduction for non-commercial purposes, provided the original work is properly cited.

Additional information

This paper was originally presented at the International Conference on Many Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces, Paris, France, 30 June-02 July 2008.

Full text

Peer reviewed