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Volumn 110, Issue 5, 1999, Pages 2643-2651

Dissociative adsorption of silane on the Si(100)-(2 × 1) surface

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001244058     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.477986     Document Type: Article
Times cited : (57)

References (42)
  • 19
    • 0043114581 scopus 로고    scopus 로고
    • MSI: San Diego
    • DMol User Guide; MSI: San Diego, 1996.
    • (1996) DMol User Guide
  • 20
    • 0346808101 scopus 로고
    • Cray Research, lnc: Mendota Heights. MN
    • UniChem User's Guide; Cray Research, lnc: Mendota Heights. MN, 1995.
    • (1995) UniChem User's Guide
  • 33
    • 85034552853 scopus 로고    scopus 로고
    • note
    • Specifically, in the Gaussian 94 calculations, the symmetric TZ94P and DNP surfaces were used as reactants.
  • 36
    • 85034538950 scopus 로고    scopus 로고
    • note
    • Steepest descent from the transition state leads to a product with the silyl in a different orientation than depicted in Fig. 2. The silyl of the product obtained from steepest descent is rotated so that one SiH bond essentially lies over and in the same plane as the dimer bond. The isomer depicted in Fig. 2 is about 1 kcal/mol lower in energy than the steepest-descent isomer.
  • 38
    • 85034555034 scopus 로고    scopus 로고
    • note
    • Calculations for this transition state were performed in DMoI only. The coefficients of the Is orbitals on Si were frozen during geometry and frequency calculations.
  • 40


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.