메뉴 건너뛰기




Volumn 46, Issue 17, 2007, Pages 6987-6991

Vibrational properties of polyanionic hydrides SrAl2H 2 and SrAlSiH: New insights into Al-H bonding interactions

Author keywords

[No Author keywords available]

Indexed keywords


EID: 34548304996     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic700722b     Document Type: Article
Times cited : (18)

References (38)
  • 23
    • 34548366476 scopus 로고    scopus 로고
    • The Cartesian k-points A, L, M, Γ, H, and K are (2π/c)(0,0,1/2), (2π/a)(1/2,√3/6, a/2c), (2π/a)(1/2,√3/6,0), (0,0,0), (2π/a)(2/3,0,a/2c), and (2π/a)(2/3,0,0), respectively.
    • The Cartesian k-points A, L, M, Γ, H, and K are (2π/c)(0,0,1/2), (2π/a)(1/2,√3/6, a/2c), (2π/a)(1/2,√3/6,0), (0,0,0), (2π/a)(2/3,0,a/2c), and (2π/a)(2/3,0,0), respectively.
  • 24
    • 34548340715 scopus 로고    scopus 로고
    • The potential energy curves for molecules were computed using DFT-(B3LYP) with the 6-31G** basis set using the quantum chemistry code Dalton 2.0; DALTON, a molecular electronic structure program, release 2.0 2005
    • The potential energy curves for molecules were computed using DFT-(B3LYP) with the 6-31G** basis set using the quantum chemistry code Dalton 2.0; DALTON, a molecular electronic structure program, release 2.0 (2005). http://www.kjemi.uio.no/software/dalton/dalton.html.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.