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Volumn 15, Issue 43, 2013, Pages 18872-18880

Ribbon aromaticity in double-chain planar BnH2 2- and Li2BnH2 nanoribbon clusters up to n = 22: Lithiated boron dihydride analogues of polyenes

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Indexed keywords


EID: 84886905310     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c3cp53761g     Document Type: Article
Times cited : (34)

References (50)
  • 41
    • 80055018223 scopus 로고    scopus 로고
    • Swiss National Supercomputing Centre, Lugano, Switzerland All calculations of the infinite double-chain boron nanoribbon were implemented in VASP.5.2 (ref. 43) with the projector augmented wave (PAW) (ref. 44) pseudopotential method. The plane-wave cutoff and k-point mesh were set to 500 eV and 39 × 1 × 1, respectively. The PBE exchange-correlation functional was employed in the geometric optimization and band structure calculation
    • U. Varetto, MOLEKEL, version 5.4, Swiss National Supercomputing Centre, Lugano, Switzerland
    • MOLEKEL, Version 5.4
    • Varetto, U.1
  • 45
    • 35949007293 scopus 로고
    • 2-hybridized corner B atoms are each terminated by one H atom
    • W. A. de Heer Rev. Mod. Phys. 1993 65 611 676
    • (1993) Rev. Mod. Phys. , vol.65 , pp. 611-676
    • De Heer, W.A.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.