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Volumn 12, Issue 7, 2006, Pages 2032-2038

A close look at short C-CH3⋯potassium contacts: Synthetic and theoretical investigations of [M2Co2(μ 3-OtBu)2(μ2-OtBu)4(thf) n] (M = Na, K, Rb, thf=tetrahydrofuran)

Author keywords

Agostic interactions; Alkali metals; Density functional calculations; Metal alkoxides

Indexed keywords

CRYSTAL STRUCTURE; PROBABILITY DENSITY FUNCTION; RUBIDIUM COMPOUNDS; SODIUM COMPOUNDS; SYNTHESIS (CHEMICAL);

EID: 33644554489     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.200500603     Document Type: Article
Times cited : (13)

References (36)
  • 23
    • 4243402296 scopus 로고
    • b) O. Treutler, R. Ahlrichs, J. Chem. Phys. 1995, 102, 346. Results are reported that were obtained with the TPSS exchange-correlation functional within the multipole-accelerated resolution-of-the-identity (MARI-J) approximation
    • (1995) J. Chem. Phys. , vol.102 , pp. 346
    • Treutler, O.1    Ahlrichs, R.2
  • 27
    • 0038617492 scopus 로고    scopus 로고
    • e) M. Sierka, A. Hogekamp, R. Ahlrichs, J. Chem. Phys. 2003, 118, 9136. The TZVPP basis with corresponding auxiliary basis set was used as available in the TURBOMOLE basis-set library.
    • (2003) J. Chem. Phys. , vol.118 , pp. 9136
    • Sierka, M.1    Hogekamp, A.2    Ahlrichs, R.3
  • 35


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.