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On the identity of the radiation-induced stable alanine radical

Ewald Pauwels UGent, Hendrik De Cooman UGent, Michel Waroquier UGent, Eli O Hole and Einar Sagstuen (2010) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 12(31). p.8733-8736
abstract
Using periodic DFT calculations, it is concluded that the stable radiation-induced alanine radical most probably is the result of reductive deamination and protonation of the detached amino group, yielding an NH4+ ammonium ion and a negatively charged radical.
Please use this url to cite or link to this publication:
author
organization
year
type
journalArticle (original)
publication status
published
subject
keyword
density-functional calculations, hyperfine coupling-constants, space gaussian pseudopotentials, nuclear double-resonance, l-alpha-alanine, electron-spin-resonance, dft, single-crystals, epr, molecular environment
journal title
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Phys. Chem. Chem. Phys.
volume
12
issue
31
pages
8733 - 8736
Web of Science type
Article
Web of Science id
000280514800007
JCR category
PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
JCR impact factor
3.453 (2010)
JCR rank
4/31 (2010)
JCR quartile
1 (2010)
ISSN
1463-9076
DOI
10.1039/c004380j
project
HPC-UGent: the central High Performance Computing infrastructure of Ghent University
project
HPC-UGent: the central High Performance Computing infrastructure of Ghent University
language
English
UGent publication?
yes
classification
A1
copyright statement
I have transferred the copyright for this publication to the publisher
id
1027217
handle
http://hdl.handle.net/1854/LU-1027217
date created
2010-08-23 09:46:02
date last changed
2015-06-17 09:10:52
@article{1027217,
  abstract     = {Using periodic DFT calculations, it is concluded that the stable radiation-induced alanine radical most probably is the result of reductive deamination and protonation of the detached amino group, yielding an NH4+ ammonium ion and a negatively charged radical.},
  author       = {Pauwels, Ewald and De Cooman, Hendrik and Waroquier, Michel and Hole, Eli O and Sagstuen, Einar},
  issn         = {1463-9076},
  journal      = {PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
  keyword      = {density-functional calculations,hyperfine coupling-constants,space gaussian pseudopotentials,nuclear double-resonance,l-alpha-alanine,electron-spin-resonance,dft,single-crystals,epr,molecular environment},
  language     = {eng},
  number       = {31},
  pages        = {8733--8736},
  title        = {On the identity of the radiation-induced stable alanine radical},
  url          = {http://dx.doi.org/10.1039/c004380j},
  volume       = {12},
  year         = {2010},
}

Chicago
Pauwels, Ewald, Hendrik De Cooman, Michel Waroquier, Eli O Hole, and Einar Sagstuen. 2010. “On the Identity of the Radiation-induced Stable Alanine Radical.” Physical Chemistry Chemical Physics 12 (31): 8733–8736.
APA
Pauwels, Ewald, De Cooman, H., Waroquier, M., Hole, E. O., & Sagstuen, E. (2010). On the identity of the radiation-induced stable alanine radical. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 12(31), 8733–8736.
Vancouver
1.
Pauwels E, De Cooman H, Waroquier M, Hole EO, Sagstuen E. On the identity of the radiation-induced stable alanine radical. PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 2010;12(31):8733–6.
MLA
Pauwels, Ewald, Hendrik De Cooman, Michel Waroquier, et al. “On the Identity of the Radiation-induced Stable Alanine Radical.” PHYSICAL CHEMISTRY CHEMICAL PHYSICS 12.31 (2010): 8733–8736. Print.