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Volumn 106, Issue 1, 2000, Pages 1-6

Accurate density-functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set VII. Effects of poorer geometry and poorer basis sets

Author keywords

Core electron binding energies; DFT; ESCA; Ethyl perfluoroacetate; XPS

Indexed keywords


EID: 0002715022     PISSN: 03682048     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0368-2048(99)00081-x     Document Type: Article
Times cited : (15)

References (40)
  • 13
    • 0031569078 scopus 로고    scopus 로고
    • Part II of this series. For errata, see Part IV, Ref. [15]
    • M. Pulfer, C.-H. Hu, D.P. Chong, Chem. Phys. 216 (1997) 91, [Part II of this series. For errata, see Part IV, Ref. [15]].
    • (1997) Chem. Phys. , vol.216 , pp. 91
    • Pulfer, M.1    Hu, C.-H.2    Chong, D.P.3
  • 14
    • 0031569159 scopus 로고    scopus 로고
    • Part III of this series
    • C.-H. Hu, D.P. Chong, Chem. Phys. 216 (1997) 99, [Part III of this series].
    • (1997) Chem. Phys. , vol.216 , pp. 99
    • Hu, C.-H.1    Chong, D.P.2
  • 15
    • 0000647895 scopus 로고    scopus 로고
    • Part IV of this series
    • D.P. Chong, C.-H. Hu, J. Chem. Phys. 108 (1998) 8950, [Part IV of this series].
    • (1998) J. Chem. Phys. , vol.108 , pp. 8950
    • Chong, D.P.1    Hu, C.-H.2
  • 30
    • 0346344600 scopus 로고
    • Ph.D. Thesis, University of Montreal
    • A. St-Amant, Ph.D. Thesis, University of Montreal, 1991.
    • (1991)
    • St-Amant, A.1
  • 35
    • 0345831433 scopus 로고    scopus 로고
    • Fujitsu Limited, Chiba, Japan
    • WinMOPAC, Version 2.0, Fujitsu Limited, Chiba, Japan, 1998.
    • (1998) WinMOPAC, Version 2.0
  • 36
    • 0002128778 scopus 로고
    • Errata: An error was made in the merging of plot files. Consequently, the d-profile in the middle frame of Fig. 1 is wrong and should be identical to that in the bottom frame of Fig. 1, except for a slight shift along the x-axis.
    • D.P. Chong, Can. J. Chem. 73 (1995) 79, [Errata: An error was made in the merging of plot files. Consequently, the d-profile in the middle frame of Fig. 1 is wrong and should be identical to that in the bottom frame of Fig. 1, except for a slight shift along the x-axis.].
    • (1995) Can. J. Chem. , vol.73 , pp. 79
    • Chong, D.P.1
  • 37
    • 0346344599 scopus 로고    scopus 로고
    • M.Sc. Thesis, University of British Columbia
    • G. Cavigliasso, M.Sc. Thesis, University of British Columbia, 1999.
    • (1999)
    • Cavigliasso, G.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.