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Volumn 107, Issue 24, 1997, Pages 10620-10625

Geometric and electronic properties of small vanadium clusters: A density functional study

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; DISSOCIATION; ELECTRON SPECTROSCOPY; ELECTRONIC DENSITY OF STATES; ELECTRONIC PROPERTIES; ION EXCHANGE; IONIZATION; MAGNETIC MOMENTS; VANADIUM;

EID: 0031337334     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474177     Document Type: Article
Times cited : (71)

References (39)
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  • 23
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    • Vrije Universiteit, Amsterdam
    • We have used the program ADF 2.1, Theoretical Chemistry, Vrije Universiteit, Amsterdam; E. J. Baerends et al., Chem. Phys. 2, 41 (1973); G. te Velde and E. J. Baerends, J. Comput. Phys. 99, 84 (1992); C. Fonseca Guerra et al. METECC-95, 305 (1995).
    • ADF 2.1, Theoretical Chemistry
  • 24
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    • We have used the program ADF 2.1, Theoretical Chemistry, Vrije Universiteit, Amsterdam; E. J. Baerends et al., Chem. Phys. 2, 41 (1973); G. te Velde and E. J. Baerends, J. Comput. Phys. 99, 84 (1992); C. Fonseca Guerra et al. METECC-95, 305 (1995).
    • (1973) Chem. Phys. , vol.2 , pp. 41
    • Baerends, E.J.1
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    • We have used the program ADF 2.1, Theoretical Chemistry, Vrije Universiteit, Amsterdam; E. J. Baerends et al., Chem. Phys. 2, 41 (1973); G. te Velde and E. J. Baerends, J. Comput. Phys. 99, 84 (1992); C. Fonseca Guerra et al. METECC-95, 305 (1995).
    • (1992) J. Comput. Phys. , vol.99 , pp. 84
    • Te Velde, G.1    Baerends, E.J.2
  • 26
    • 0004223871 scopus 로고
    • We have used the program ADF 2.1, Theoretical Chemistry, Vrije Universiteit, Amsterdam; E. J. Baerends et al., Chem. Phys. 2, 41 (1973); G. te Velde and E. J. Baerends, J. Comput. Phys. 99, 84 (1992); C. Fonseca Guerra et al. METECC-95, 305 (1995).
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  • 28
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    • D. M. Ceperley and B. J. Adler. Phys. Rev. Lett. 45, 566 (1980); The parametrization adopted is from S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 58, 1200 (1980).
    • (1980) Phys. Rev. Lett. , vol.45 , pp. 566
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    • D. M. Ceperley and B. J. Adler. Phys. Rev. Lett. 45, 566 (1980); The parametrization adopted is from S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 58, 1200 (1980).
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    • Vosko, S.H.1    Wilk, L.2    Nusair, M.3
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    • note
    • 0.86.
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    • note
    • - was 4 eV above the optimized structure.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.