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Volumn 128, Issue 8, 2006, Pages 2504-2505

Formation and characterization of the XeOO+ cation in solid argon

Author keywords

[No Author keywords available]

Indexed keywords

ARGON; CATION; XENON;

EID: 33644638631     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja055650n     Document Type: Article
Times cited : (19)

References (37)
  • 29
    • 0346521279 scopus 로고    scopus 로고
    • The ab initio coupled cluster calculations were performed at the CCSD and CCSD(T) levels of theory, and the DFT calculations were performed using the local density approach (LDA), generalized gradient approach (GGA), BLYP and PW91, and the hybrid GGA approach, B3LYP, B3PW91, X3LYP, PBE0, and Becke half-and-half (BHLYP). The Stuttgart relativistic energy consistent pseudopotential and the aug-cc-pVQZ-PP basis set were used for Xe (Peterson, K. A.; Figgen, D.; Goll, E.; Stoll, H.; Dolg, M. J. Chem. Phys. 2003, 119, 11113), with the aug-cc-pVQZ basis sets for O
    • (2003) J. Chem. Phys. , vol.119 , pp. 11113
    • Peterson, K.A.1    Figgen, D.2    Goll, E.3    Stoll, H.4    Dolg, M.5
  • 32
    • 33644657667 scopus 로고    scopus 로고
    • van der Waals radii were taken from http://www.webelements.com.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.