메뉴 건너뛰기




Volumn 101, Issue 32, 1997, Pages 5818-5823

DV-Xa study of electronic spectra for MoS42- and [(NC)CuS2MoS2]2- anions

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; CHEMICAL BONDS; COMPUTATIONAL METHODS; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; MOLECULAR STRUCTURE; ULTRAVIOLET SPECTROSCOPY;

EID: 0031558377     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp971097n     Document Type: Article
Times cited : (4)

References (19)
  • 9
    • 56349126573 scopus 로고
    • Adachi, H.; Tsukada, M.; Satoko, C. J. Phys. Soc. Jpn. 1978, 45, 875. The DV-Xα method was first developed for band structure calculation (Ellis, D. E.; Painter, G. S. Phys. Rev. 1970, B2, 2887) and then used for cluster calculations (Baerends, E. J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 41; Ellis, D. E.; Adachi, H.; Averill, F. W. Surf. Sci. 1976, 58, 497). The way to generate numerical basis functions and some other points are modified in the present version of the DV-Xα program. The details of this program are described in ref 9.
    • (1978) J. Phys. Soc. Jpn. , vol.45 , pp. 875
    • Adachi, H.1    Tsukada, M.2    Satoko, C.3
  • 10
    • 33746010194 scopus 로고
    • Adachi, H.; Tsukada, M.; Satoko, C. J. Phys. Soc. Jpn. 1978, 45, 875. The DV-Xα method was first developed for band structure calculation (Ellis, D. E.; Painter, G. S. Phys. Rev. 1970, B2, 2887) and then used for cluster calculations (Baerends, E. J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 41; Ellis, D. E.; Adachi, H.; Averill, F. W. Surf. Sci. 1976, 58, 497). The way to generate numerical basis functions and some other points are modified in the present version of the DV-Xα program. The details of this program are described in ref 9.
    • (1970) Phys. Rev. , vol.B2 , pp. 2887
    • Ellis, D.E.1    Painter, G.S.2
  • 11
    • 0038023343 scopus 로고
    • Adachi, H.; Tsukada, M.; Satoko, C. J. Phys. Soc. Jpn. 1978, 45, 875. The DV-Xα method was first developed for band structure calculation (Ellis, D. E.; Painter, G. S. Phys. Rev. 1970, B2, 2887) and then used for cluster calculations (Baerends, E. J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 41; Ellis, D. E.; Adachi, H.; Averill, F. W. Surf. Sci. 1976, 58, 497). The way to generate numerical basis functions and some other points are modified in the present version of the DV-Xα program. The details of this program are described in ref 9.
    • (1973) Chem. Phys. , vol.2 , pp. 41
    • Baerends, E.J.1    Ellis, D.E.2    Ros, P.3
  • 12
    • 0001624572 scopus 로고
    • Adachi, H.; Tsukada, M.; Satoko, C. J. Phys. Soc. Jpn. 1978, 45, 875. The DV-Xα method was first developed for band structure calculation (Ellis, D. E.; Painter, G. S. Phys. Rev. 1970, B2, 2887) and then used for cluster calculations (Baerends, E. J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 41; Ellis, D. E.; Adachi, H.; Averill, F. W. Surf. Sci. 1976, 58, 497). The way to generate numerical basis functions and some other points are modified in the present version of the DV-Xα program. The details of this program are described in ref 9.
    • (1976) Surf. Sci. , vol.58 , pp. 497
    • Ellis, D.E.1    Adachi, H.2    Averill, F.W.3
  • 15
  • 16
    • 36149004209 scopus 로고
    • Slater, J. C. Phys. Rev. 1951, 81, 385; 1951, 82, 538.
    • (1951) Phys. Rev. , vol.82 , pp. 538


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.