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Volumn 6, Issue 5, 2015, Pages 2770-2776

Remote functionalization of hydrocarbons with reversibility enhanced stereocontrol

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; HYDROCARBONS;

EID: 84928136254     PISSN: 20416520     EISSN: 20416539     Source Type: Journal    
DOI: 10.1039/c5sc00445d     Document Type: Article
Times cited : (55)

References (80)
  • 65
    • 84928115862 scopus 로고    scopus 로고
    • note
    • As a model, the Bu and ω-ene chains in were respectively simplified by Et and δ-ene groups. Calculations were performed using the M06 hybrid functional. Zr was described by a Stuttgart-Dresden-Köln pseudopotential with its valence extended basis set, other atoms were represented by 6-311G(d,p) basis sets. Optimizations without any constraint and frequency calculations were carried out with implicit SMD solvent (Et2O). See ESI for full description of the computational procedure


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.