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Communication: DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen)

Sebastian Wouters, Thomas Bogaerts, Pascal Van Der Voort UGent, Veronique Van Speybroeck UGent and Dimitri Van Neck UGent (2014) JOURNAL OF CHEMICAL PHYSICS. 140(24).
Please use this url to cite or link to this publication:
author
organization
year
type
journalArticle (original)
publication status
published
subject
keyword
density-matrix renormalization group, oxo-Mn(Salen), MATRIX RENORMALIZATION-GROUP, DENSITY-FUNCTIONAL THEORY, ELECTRONIC-STRUCTURE, UNFUNCTIONALIZED OLEFINS, ACYLPEROXO COMPLEXES, ENANTIOSELECTIVE EPOXIDATION, ASYMMETRIC EPOXIDATION, MEDIATED EPOXIDATION, SALEN COMPLEXES, WAVE-FUNCTIONS
journal title
JOURNAL OF CHEMICAL PHYSICS
J. Chem. Phys.
volume
140
issue
24
article number
241103
pages
5 pages
Web of Science type
Article
Web of Science id
000338634200003
JCR category
PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
JCR impact factor
2.952 (2014)
JCR rank
8/34 (2014)
JCR quartile
1 (2014)
ISSN
0021-9606
DOI
10.1063/1.4885815
project
European Community’s Seventh Framework Programme FP7(2007-2013), ERC grant 240483
project
HPC-UGent: the central High Performance Computing infrastructure of Ghent University
project
UGent GOA grant 01G00710
language
English
UGent publication?
yes
classification
A1
copyright statement
I have transferred the copyright for this publication to the publisher
id
4443252
handle
http://hdl.handle.net/1854/LU-4443252
date created
2014-07-01 08:55:30
date last changed
2018-01-29 12:12:41
@article{4443252,
  articleno    = {241103},
  author       = {Wouters, Sebastian and Bogaerts, Thomas and Van Der Voort, Pascal and Van Speybroeck, Veronique and Van Neck, Dimitri},
  issn         = {0021-9606},
  journal      = {JOURNAL OF CHEMICAL PHYSICS},
  keyword      = {density-matrix renormalization group,oxo-Mn(Salen),MATRIX RENORMALIZATION-GROUP,DENSITY-FUNCTIONAL THEORY,ELECTRONIC-STRUCTURE,UNFUNCTIONALIZED OLEFINS,ACYLPEROXO COMPLEXES,ENANTIOSELECTIVE EPOXIDATION,ASYMMETRIC EPOXIDATION,MEDIATED EPOXIDATION,SALEN COMPLEXES,WAVE-FUNCTIONS},
  language     = {eng},
  number       = {24},
  pages        = {5},
  title        = {Communication: DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen)},
  url          = {http://dx.doi.org/10.1063/1.4885815},
  volume       = {140},
  year         = {2014},
}

Chicago
Wouters, Sebastian, Thomas Bogaerts, Pascal Van Der Voort, Veronique Van Speybroeck, and Dimitri Van Neck. 2014. “Communication: DMRG-SCF Study of the Singlet, Triplet, and Quintet States of oxo-Mn(Salen).” Journal of Chemical Physics 140 (24).
APA
Wouters, Sebastian, Bogaerts, T., Van Der Voort, P., Van Speybroeck, V., & Van Neck, D. (2014). Communication: DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen). JOURNAL OF CHEMICAL PHYSICS, 140(24).
Vancouver
1.
Wouters S, Bogaerts T, Van Der Voort P, Van Speybroeck V, Van Neck D. Communication: DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen). JOURNAL OF CHEMICAL PHYSICS. 2014;140(24).
MLA
Wouters, Sebastian, Thomas Bogaerts, Pascal Van Der Voort, et al. “Communication: DMRG-SCF Study of the Singlet, Triplet, and Quintet States of oxo-Mn(Salen).” JOURNAL OF CHEMICAL PHYSICS 140.24 (2014): n. pag. Print.