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Volumn 51, Issue 5, 1997, Pages 547-555

The strange case of the ethane radical cation

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001665913     PISSN: 0904213X     EISSN: None     Source Type: Journal    
DOI: 10.3891/acta.chem.scand.51-0547     Document Type: Article
Times cited : (14)

References (43)
  • 11
    • 3242857841 scopus 로고    scopus 로고
    • note
    • In the following the shorthand notation ag(eg) is employed to label the ag orbital that is obtained from the eg state after Jahn-Teller distortion and ag(a1g) is used to characterize the ag orbital that is obtained from the 3a1g orbital.
  • 20
    • 3242845861 scopus 로고    scopus 로고
    • note
    • 1 amplitudes for all the structures investigated in this study are smaller than 0.02. Hence they are very well described by a single reference and a multiconfigurational treatment is not necessary
  • 37
    • 3242830159 scopus 로고    scopus 로고
    • note
    • For the DFT and MP2 calculations five spherical d functions were employed.
  • 42
    • 3242834553 scopus 로고    scopus 로고
    • note
    • + and diborane can by found in Ref. 9.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.