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Volumn 121, Issue 4, 1999, Pages 644-652

Equilibrium geometry, stability, and magnetic properties of small MnO clusters

Author keywords

[No Author keywords available]

Indexed keywords

MANGANESE OXIDE;

EID: 0033518593     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja981721p     Document Type: Article
Times cited : (88)

References (38)
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    • Service, R.F.1
  • 11
    • 36549098743 scopus 로고
    • For some of the early work on oxides, see, e.g.: Freas, R. B.; Dunlap, B. I.; Waite, B. A.; Campna, J. E. J. Chem. Phys. 1987, 86, 1276. King, F. L.; Dunlap, B. I.; Parent, D. C. J. Chem. Phys. 1991, 94, 2578.
    • (1987) J. Chem. Phys. , vol.86 , pp. 1276
    • Freas, R.B.1    Dunlap, B.I.2    Waite, B.A.3    Campna, J.E.4
  • 12
    • 0001631637 scopus 로고
    • For some of the early work on oxides, see, e.g.: Freas, R. B.; Dunlap, B. I.; Waite, B. A.; Campna, J. E. J. Chem. Phys. 1987, 86, 1276. King, F. L.; Dunlap, B. I.; Parent, D. C. J. Chem. Phys. 1991, 94, 2578.
    • (1991) J. Chem. Phys. , vol.94 , pp. 2578
    • King, F.L.1    Dunlap, B.I.2    Parent, D.C.3
  • 21
    • 4243553426 scopus 로고
    • + using both BPW91 and B3LYP and the results were in good agreement with each other. Our experience has been that, in clusters that are well bound, the two forms of exchange correlation provide similar results.
    • (1988) Phys. Rev. A , vol.38 , pp. 3098
    • Becke, A.D.1
  • 22
    • 33645898818 scopus 로고
    • + using both BPW91 and B3LYP and the results were in good agreement with each other. Our experience has been that, in clusters that are well bound, the two forms of exchange correlation provide similar results.
    • (1992) Phys. Rev. B , vol.45 , pp. 13244
    • Perdew, J.P.1    Wang, Y.2
  • 24
    • 0003701499 scopus 로고
    • Biosym Technologies, Inc.: San Diego, CA
    • DMol Code; Biosym Technologies, Inc.: San Diego, CA, 1995.
    • (1995) DMol Code
  • 37
    • 0032546704 scopus 로고    scopus 로고
    • Nayak, S. K.; Jena, P. Chem. Phys. Lett. 1998, 289, 473. Pederson, M. R.; Reuse, F.; Khanna, S. N. To be published.
    • (1998) Chem. Phys. Lett. , vol.289 , pp. 473
    • Nayak, S.K.1    Jena, P.2
  • 38
    • 0032546704 scopus 로고    scopus 로고
    • To be published
    • Nayak, S. K.; Jena, P. Chem. Phys. Lett. 1998, 289, 473. Pederson, M. R.; Reuse, F.; Khanna, S. N. To be published.
    • Pederson, M.R.1    Reuse, F.2    Khanna, S.N.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.