Chen Z, Jiao H, Hirsch A, Thiel W (2000)
Publication Type: Journal article, Original article
Publication year: 2000
Original Authors: Chen Z., Jiao H., Hirsch A., Thiel W.
Publisher: Elsevier
Book Volume: 329
Pages Range: 47-51
URI: https://www.scopus.com/record/display.uri?eid=2-s2.0-0002441139&origin=inward
The small fullerenes, C(n=0,2+,2-) and their heteroanalogues (CN, CB, CNandCB) have been investigated at the density functional B3LYP/6-31G* level of theory. The aromaticity of these systems was characterized systematically by using the computed nucleus independent chemical shifts values at the cage center and also at the center of individual rings. The hydrogenation product, CH, may be experimentally observable considering the calculated strain energy. © 2000 Elsevier Science B.V.
APA:
Chen, Z., Jiao, H., Hirsch, A., & Thiel, W. (2000). Fullerenes C36 n (n=0,2+,2-) and their B- and N-doped analogues. Chemical Physics Letters, 329, 47-51.
MLA:
Chen, Zhongfang, et al. "Fullerenes C36 n (n=0,2+,2-) and their B- and N-doped analogues." Chemical Physics Letters 329 (2000): 47-51.
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