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Volumn 110, Issue 34, 2006, Pages 10169-10172

Pb 12 2-: Plumbaspherene

Author keywords

[No Author keywords available]

Indexed keywords

EMPTY INTERIOR VOLUME; ENDOHEDRAL CLUSTERS; PLUMBASPHERENE; TRANSITION METAL ATOMS;

EID: 33748787406     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp063617x     Document Type: Article
Times cited : (119)

References (27)
  • 4
    • 0000339389 scopus 로고    scopus 로고
    • Probing the electronic structure of transition metal clusters from molecular to bulklike using photoelectron spectroscopy
    • Duncan, M. A., Ed.; JAI Press: Greenwich, U.K.
    • Wang, L. S.; Wu, H. Probing the electronic structure of transition metal clusters from molecular to bulklike using photoelectron spectroscopy. In Advances in Metal and Semiconductor Clusters. IV. Cluster Materials; Duncan, M. A., Ed.; JAI Press: Greenwich, U.K., 1998; pp 299-343.
    • (1998) Advances in Metal and Semiconductor Clusters. IV. Cluster Materials , pp. 299-343
    • Wang, L.S.1    Wu, H.2
  • 5
    • 0001086211 scopus 로고    scopus 로고
    • Temperature effects in anion photoelectron spectroscopy of metal clusters
    • Jena, P., Khanna, S. N., Rao, B. K.. Eds.; World Scientific: Singapore
    • Wang, L. S.; Li, X. Temperature effects in anion photoelectron spectroscopy of metal clusters. In Cluster and Nanostructure Interfaces', Jena, P., Khanna, S. N., Rao, B. K.. Eds.; World Scientific: Singapore, 2000; pp 293-300.
    • (2000) Cluster and Nanostructure Interfaces , pp. 293-300
    • Wang, L.S.1    Li, X.2
  • 8
    • 0000189651 scopus 로고
    • All structures discussed in the text were calculated using density functional theory at the hybrid B3LYP level (Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648
    • Becke, A.D.1
  • 10
    • 49049133260 scopus 로고
    • Vibrational frequencies were calculated to confirm that the structures are true minima on the potential energy surfaces. The Stuttgart quasirelativistic pseudopotentials and basis sets were used to describe Pb and K (Fuentealba, P.; Preuss, H.; Stoll, H.; Szentpaly, L. V. Chem. Phys. Lett. 1982, 89, 418.
    • (1982) Chem. Phys. Lett. , vol.89 , pp. 418
    • Fuentealba, P.1    Preuss, H.2    Stoll, H.3    Szentpaly, L.V.4
  • 12
    • 0141704726 scopus 로고    scopus 로고
    • Gaussian, Inc.: Pittsburgh, PA
    • Vertical detachment energies for the ground state transitions were calculated as the energy difference between the neutrals and anions at the anion geometries. The calculations and orbital contours were accomplished using the Gaussian 03 program and Gauss View 3.0, respectively (Frisch, M. J.; et al. Gaussian 03, revision B.04; Gaussian, Inc.: Pittsburgh, PA, 2003).
    • (2003) Gaussian 03, Revision B.04
    • Frisch, M.J.1
  • 18
    • 0037880444 scopus 로고
    • To assess the spin-orbit coupling effects in these Pb clusters, two-component relativistic DFT calculations were performed using the zero-order regular approximation (ZORA) (van Lenthe, E.; Baerends, E. J.; Snijders, J. G. J. Chem. Phys. 1993, 99, 4597)
    • (1993) J. Chem. Phys. , vol.99 , pp. 4597
    • Van Lenthe, E.1    Baerends, E.J.2    Snijders, J.G.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.