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Volumn 250, Issue 7-8, 2006, Pages 900-910

Relativistic energy-consistent ab initio pseudopotentials as tools for quantum chemical investigations of actinide systems

Author keywords

Actinides; Calculation; Electronic structure; Pseudopotentials; Relativistic effects

Indexed keywords


EID: 33646034924     PISSN: 00108545     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ccr.2006.01.003     Document Type: Review
Times cited : (65)

References (73)
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    • Schleyer P.V.R., Allinger N.L., Clark T., Gasteiger J., Kollman P.A., Schaefer H.F., and Schreiner III P.R. (Eds), Wiley, Chichester
    • Dolg M. In: Schleyer P.V.R., Allinger N.L., Clark T., Gasteiger J., Kollman P.A., Schaefer H.F., and Schreiner III P.R. (Eds). The Encyclopedia of Computational Chemistry (1998), Wiley, Chichester 1478
    • (1998) The Encyclopedia of Computational Chemistry , pp. 1478
    • Dolg, M.1
  • 14
    • 33646032955 scopus 로고    scopus 로고
    • P. Pyykkö, Relativistic Theory of Atoms and Molecules 1915 - (RTAM) database, Version 11.0, 2005. http://www.csc.fi/rtam.
  • 31
    • 33646039168 scopus 로고    scopus 로고
    • Clickable periodic table with energy-consistent PPs and corresponding valence basis sets. http://www.theochem.uni-stuttgart.de.
  • 72
    • 33646054469 scopus 로고    scopus 로고
    • X. Cao, Q. Li, A. Moritz, Z. Xie, M. Dolg, X. Chen, W. Fang, Inorg. Chem. (2006), in press.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.