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Volumn 536, Issue , 2012, Pages 50-54

Hydration of trivalent lanthanum revisited - An ab initio QMCF-MD approach

Author keywords

[No Author keywords available]

Indexed keywords

ANGULAR DISTRIBUTION; HYDRATES; LANTHANUM; MOLECULAR DYNAMICS; QUANTUM THEORY;

EID: 84861580273     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2012.03.065     Document Type: Article
Times cited : (29)

References (50)
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    • J.R. Sabin, E. Brandas (Eds.), Academic Press
    • T.S. Hofer, A.B. Pribil, B.R. Randolf, B.M. Rode, Combining quantum mechanics and molecular mechanics. Some recent progresses in QM/MM methods, in: J.R. Sabin, E. Brandas (Eds.), Advances in Quantum Chemistry, 59, Academic Press, 2010, p. 213.
    • (2010) Advances in Quantum Chemistry , vol.59 , pp. 213
    • Hofer, T.S.1    Pribil, A.B.2    Randolf, B.R.3    Rode, B.M.4
  • 16
    • 77957329135 scopus 로고    scopus 로고
    • Theoretical and computational inorganic chemistry
    • R. van Eldik, J. Harvey (Eds.), Academic Press
    • T.S. Hofer, B.M. Rode, A.B. Pribil, B.R. Randolf, Theoretical and computational inorganic chemistry, in: R. van Eldik, J. Harvey (Eds.), Advances in Inorganic Chemistry, 62, Academic Press, 2010, p. 143.
    • (2010) Advances in Inorganic Chemistry , vol.62 , pp. 143
    • Hofer, T.S.1    Rode, B.M.2    Pribil, A.B.3    Randolf, B.R.4
  • 22
    • 70450206724 scopus 로고    scopus 로고
    • Revision A.02, GAUSSIAN, Inc., Wallingford, CT
    • M.J. Frisch et al., GAUSSIAN 09, Revision A.02, GAUSSIAN, Inc., Wallingford, CT, 2009.
    • (2009) GAUSSIAN 09
    • Frisch, M.J.1
  • 31
    • 85030488667 scopus 로고    scopus 로고
    • TURBOMOLE, TURBOMOLE V5.10, a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007
    • TURBOMOLE, TURBOMOLE V5.10, a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.