Planar π-aromatic C 3h B 6H 3 + and π-antiaromatic C 2h B 8H 2: Boron hydride analogues of D 3h C 3H 3 + and D 2h C 4H 4

Journal of Molecular Modeling

Volumn 18, Issue 7, 2012, Pages 3161-3167

  Li, Da Zhi ^a,b   Lu, Hai Gang ^a   Li, Si Dian ^a,c  

^a SHANXI UNIVERSITY   (China)

^b BINZHOU UNIVERSITY   (China)

^c XINZHOU TEACHERS UNIVERSITY   (China)

Author keywords

AdNDP; Aromaticity; Boron hydride clusters; DFT; Electronic structures; Geometrical structures

Indexed keywords

AROMATIC COMPOUND; BORON DERIVATIVE; BORON HYDRIDE; CATION; CYCLOBUTADIENE; CYCLOPROPENE; UNCLASSIFIED DRUG;

ADAPTIVE NATURAL DENSITY PARTITIONING; ARTICLE; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSPORT; ENERGY; HYDROGENATION; MATHEMATICAL ANALYSIS; PRIORITY JOURNAL; STRUCTURE ANALYSIS;

BORANES; MODELS, CHEMICAL; MODELS, MOLECULAR;

EID: 84864697928     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1322-y     Document Type: Article

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