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Publication details

Document type
Journal articles

Document subtype
Full paper

Title
Geometry optimization of a Ru(IV) allyl dicationic complex: a DFT failure?

Participants in the publication
M. J. Calhorda (Author)
Dep. Química e Bioquímica
P. S. Pregosin (Author)
L. F. Veiros (Author)

Date of Publication
2007

Where published
JOURNAL OF CHEMICAL THEORY AND COMPUTATION

Publication Identifiers
ISSN - 1549-9618

Volume
3

Starting page
665
Last page
670

Document Identifiers
DOI - https://doi.org/10.1021/ct600341r


Export

APA
M. J. Calhorda, P. S. Pregosin, L. F. Veiros, (2007). Geometry optimization of a Ru(IV) allyl dicationic complex: a DFT failure?. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 3, 665-670. ISSN 1549-9618. eISSN .

IEEE
M. J. Calhorda, P. S. Pregosin, L. F. Veiros, "Geometry optimization of a Ru(IV) allyl dicationic complex: a DFT failure?" in JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 3, pp. 665-670, 2007. 10.1021/ct600341r

BIBTEX
@article{24603, author = {M. J. Calhorda and P. S. Pregosin and L. F. Veiros}, title = {Geometry optimization of a Ru(IV) allyl dicationic complex: a DFT failure?}, journal = {JOURNAL OF CHEMICAL THEORY AND COMPUTATION}, year = 2007, pages = { 665-670}, volume = 3 }