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Volumn 114, Issue 35, 2010, Pages 15165-15173

Computational studies of the interaction between ruthenium dyes and X - and X-2, X = Br, I, At. implications for dye-sensitized solar cells

Author keywords

[No Author keywords available]

Indexed keywords

BROMINE; COMPLEXATION; DENSITY FUNCTIONAL THEORY; DYES; ECOLOGY; IODINE; PHOTOELECTROCHEMICAL CELLS; QUANTUM CHEMISTRY; RUTHENIUM; SPHERES; THERMODYNAMICS;

EID: 77956976144     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp100572f     Document Type: Article
Times cited : (26)

References (82)
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    • Asaduzzaman, A. M.; Schreckenbach, G., 2010, submitted for publication
    • Asaduzzaman, A. M.; Schreckenbach, G., 2010, submitted for publication.
  • 67
    • 0038626673 scopus 로고    scopus 로고
    • Gaussian, Inc., Wallingford, CT
    • Frisch, M. J., Gaussian 03; Gaussian, Inc., Wallingford, CT, 2004.
    • (2004) Gaussian 03
    • Frisch, M.J.1
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    • We note that Privalov's paper is not entirely clear about the basis set/relativistic method used: The main text refers to (scalar relativistic) LCECPs; however, the cited geometries are listed in the Supporting Information as (non-relativistic) 6-31G**The close agreement with our calculations would point to the LC-ECP method. Accordingly, we have listed Privalov's results as such in Table 1
    • We note that Privalov's paper is not entirely clear about the basis set/relativistic method used: The main text refers to (scalar relativistic) LCECPs; however, the cited geometries are listed in the Supporting Information as (non-relativistic) 6-31G**The close agreement with our calculations would point to the LC-ECP method. Accordingly, we have listed Privalov's results as such in Table 1.
  • 79
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    • http://www.webelements.org/.
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    • Correction: J. Phys. Chem. A 2006, 110, 12072
    • Shamov, G. A.; Schreckenbach, G. J. Phys. Chem. A 2005, 109, 10961-10974. [Correction: J. Phys. Chem. A 2006, 110, 12072].
    • (2005) J. Phys. Chem. A , vol.109 , pp. 10961-10974
    • Shamov, G.A.1    Schreckenbach, G.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.