DOI: 10.1021/jp074605u. Highlighting the Role of the Medium in DFT Analysis of the Photophysical Properties of Ruthenium(II) Polypyridine-Type Complexes

Highlighting the Role of the Medium in DFT Analysis of the Photophysical Properties of Ruthenium(II) Polypyridine-Type Complexes

10.1021/jp074605u

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry A (316)

Bibliography

Charlot, M.-F., & Aukauloo, A. (2007). Highlighting the Role of the Medium in DFT Analysis of the Photophysical Properties of Ruthenium(II) Polypyridine-Type Complexes. The Journal of Physical Chemistry A, 111(45), 11661â11672.

Authors 2

Marie-France Charlot (first)
Ally Aukauloo (additional)

References 40 Referenced 43

10.1016/j.ccr.2006.05.021 / Coord. Chem. Rev. by Vlcek A. (2007)
10.1016/j.inoche.2004.05.003 / Inorg. Chem. Commun. by Stoyanov S. R. (2004)
10.1021/ic049099r / Inorg. Chem. by Villegas J. M. (2004)
10.1016/j.cplett.2004.07.101 / Chem. Phys. Lett. by Fantacci S. (2004)
10.1021/jp0445829 / J. Phys. Chem. A by Vlcek A. (2005)
10.1021/jp051677h / J. Phys. Chem. A by Gabrielsson A. (2005)
10.1039/b415079a / J. Chem. Soc., Dalton Trans. by Villegas J. M. (2005)
10.1002/chem.200700185 / Chem.Eur. J. by Quaranta A. (2007)
10.1002/chem.200500482 / Chem.Eur. J. by Charlot M.-F. (2006)
10.1002/ejic.200200561 / Eur. J. Inorg. Chem. by Pellegrin Y. (2003)
10.1002/anie.200461948 / Angew. Chem., Int. Ed. by Lachaud F. (2005)
10.1002/chem.200401064 / Chem.Eur. J. by Pellegrin Y. (2005)
10.1063/1.464913 / J. Chem. Phys. by Becke A. D. (1993)
Lee, C.; Yang, W.; Parr, R. G.Phys. Rev. B: Condens. Matter1988,37, 785. (10.1103/PhysRevB.37.785)
{'key': 'jp074605ub00015/jp074605ub00015_1', 'volume-title': 'Modern Theoretical Chemistry', 'volume': '3', 'author': 'Dunning T. H.', 'year': '1976'} / Modern Theoretical Chemistry by Dunning T. H. (1976)
10.1063/1.448799 / J. Chem. Phys. by Hay P. J. (1985)
{'key': 'jp074605ub00017/jp074605ub00017_1', 'volume-title': 'Gaussian 03, revision D.02', 'author': 'Frisch M. J.', 'year': '2004'} / Gaussian 03, revision D.02 by Frisch M. J. (2004)
10.1063/1.475855 / J. Chem. Phys. by Casida M. E. (1998)
10.1021/cr9904009 / Chem. Rev. by Tomasi J. (2005)
10.1063/1.473558 / J. Chem. Phys. by Mennucci B. (1997)
{'key': 'jp074605ub00021/jp074605ub00021_1', 'volume-title': 'THEOCHEM', 'author': 'Tomasi J.', 'year': '1999'} / THEOCHEM by Tomasi J. (1999)
10.1063/1.474659 / J. Chem. Phys. by Cancès E. (1997)
10.1063/1.1480445 / J. Chem. Phys. by Cossi M. (2002)
10.1063/1.1394921 / J. Chem. Phys. by Cossi M. (2001)
10.1021/ja0207910 / J. Am. Chem. Soc. by Fantacci S. (2003)
10.1021/jp020927g / J. Phys. Chem. A by Monat J. E. (2002)
10.1016/S0020-1693(98)00086-3 / Inorg. Chim. Acta by Wu J.-Z. (1998)
10.1002/chem.200501082 / Chem.Eur. J. by Bossert J. (2006)
10.1021/ja039556n / J. Am. Chem. Soc. by Dreuw A. (2004)
10.1021/ic049464e / Inorg. Chem. by Zalis S. (2004)
{'key': 'jp074605ub00031/jp074605ub00031_1', 'volume-title': "A Chemist's Guide to Density Fuctional Theory", 'author': 'Koch W.', 'year': '2002', 'edition': '2'} / A Chemist's Guide to Density Fuctional Theory by Koch W. (2002)
10.1021/ic051970w / Inorg. Chem. by Barolo C. (2006)
10.1021/ja003299u / J. Am. Chem. Soc. by Nazeeruddin M. K. (2001)
10.1063/1.478522 / J. Chem. Phys. by Adamo C. (1999)
10.1021/jp021517v / J. Phys. Chem. A by Guillemoles J. F. (2002)
10.1002/chem.200401150 / Chem.Eur. J. by Laine P. P. (2005)
10.1063/1.1759320 / J. Chem. Phys. by Gritsenko O. (2004)
10.1103/PhysRevLett.77.3865 / Phys. Rev. Lett. by Perdew J. P. (1996)
10.1021/ic00144a009 / J. Inorg. Chem. by Curtis J. C. (1983)
10.1021/ic010172c / Inorg. Chem. by Seneviratne D. S. (2002)

Dates

Type	When
Created	17 years, 10 months ago (Oct. 17, 2007, 8 a.m.)
Deposited	3 years, 10 months ago (Oct. 18, 2021, 9:27 p.m.)
Indexed	1 year, 3 months ago (June 6, 2024, 3:56 p.m.)
Issued	17 years, 10 months ago (Oct. 17, 2007)
Published	17 years, 10 months ago (Oct. 17, 2007)
Published Online	17 years, 10 months ago (Oct. 17, 2007)
Published Print	17 years, 10 months ago (Nov. 1, 2007)

Funders 0

None

BibTeX

@article{Charlot_2007, title={Highlighting the Role of the Medium in DFT Analysis of the Photophysical Properties of Ruthenium(II) Polypyridine-Type Complexes}, volume={111}, ISSN={1520-5215}, url={http://dx.doi.org/10.1021/jp074605u}, DOI={10.1021/jp074605u}, number={45}, journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society (ACS)}, author={Charlot, Marie-France and Aukauloo, Ally}, year={2007}, month=oct, pages={11661–11672} }

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