First-Principles Photoemission Spectroscopy of DNA and RNA Nucleobases from Koopmans-Compliant Functionals-Reference-Cited by-同舟云学术

First-Principles Photoemission Spectroscopy of DNA and RNA Nucleobases from Koopmans-Compliant Functionals

Published:2016-07-05 Issue:8 Volume:12 Page:3948-3958
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Nguyen Ngoc Linh¹,Borghi Giovanni¹²,Ferretti Andrea²,Marzari Nicola¹

Affiliation:

1. Theory and Simulations of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland

2. Centro S3, CNR−Istituto Nanoscienze, 41125 Modena, Italy

Funder

European Commission

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00145

Reference77 articles.

1. Structure and Relative Stability of Deoxyribose Radicals in a Model DNA Backbone: Ab Initio Molecular Orbital Calculations

2. Ionization potentials and donor properties of nucleic acid bases and related compounds

3. Photoelectron spectroscopy of some biological molecules

4. Ionization Spectroscopy of a DNA Base: Vacuum-Ultraviolet Mass-Analyzed Threshold Ionization Spectroscopy of Jet-Cooled Thymine

5. Photoelectron spectra of the nucleobases cytosine, thymine and adenine

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