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Volumn 123, Issue 10, 2005, Pages

The effect of substituents on electronic states' ordering in meta-xylylene diradicals: Qualitative insights from quantitative studies

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STATES; META-XYLYENE DIRADICALS; SPIN-FLIP COUPLED-CLUSTER METHOD;

EID: 25144500547     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2018645     Document Type: Article
Times cited : (46)

References (40)
  • 1
    • 0003403658 scopus 로고    scopus 로고
    • edited by P. M.Lahti (Marcel Dekker, New York
    • Magnetic Properties of Organic Materials, edited by, P. M. Lahti, (Marcel Dekker, New York, 1999).
    • (1999) Magnetic Properties of Organic Materials
  • 17
    • 84861246544 scopus 로고    scopus 로고
    • See EPAPS Document No. E-JCPSA6-123-302532 for molecular orbitals, optimized geometries, and total energies. This document can be reached via a direct link in the online article's HTML reference section or via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html).
  • 36
    • 25144472525 scopus 로고    scopus 로고
    • Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory, P. O. Box 999, Richland, Washington 99352, USA, and funded by the U. S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram laboratory operated by Battelle Memorial Institute for the U. S. Department of Energy under Contract No. DE-AC06-76RLO 1830. Contact David Feller or Karen Schuchardt for further information.
    • Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory, P. O. Box 999, Richland, Washington 99352, USA, and funded by the U. S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram laboratory operated by Battelle Memorial Institute for the U. S. Department of Energy under Contract No. DE-AC06-76RLO 1830. Contact David Feller or Karen Schuchardt for further information.
  • 39
    • 0003691440 scopus 로고
    • edited by W. T.Borden (Wiley, New York
    • Diradicals, edited by, W. T. Borden, (Wiley, New York, 1982).
    • (1982) Diradicals


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.