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

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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
Keywords
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

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Citation

Please use this url to cite or link to this publication:

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.
@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},
}

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