TY - JOUR
T1 - Hexagonal chains with maximal total π -electron energy
AU - Zhang, Fuji
AU - Li, Zimao
AU - Wang, Lusheng
PY - 2001/3/30
Y1 - 2001/3/30
N2 - In the preceding Letter we determined the hexagonal chain (benzenoid hydrocarbon) with minimal total π-electron energy. Further to that work, in this Letter the following result is obtained: in the set of all hexagonal chains with n hexagons, the zig-zag chain (zig-zag polyacene) has the maximal energy. © 2001 Elsevier Science B.V.
AB - In the preceding Letter we determined the hexagonal chain (benzenoid hydrocarbon) with minimal total π-electron energy. Further to that work, in this Letter the following result is obtained: in the set of all hexagonal chains with n hexagons, the zig-zag chain (zig-zag polyacene) has the maximal energy. © 2001 Elsevier Science B.V.
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U2 - 10.1016/S0009-2614(01)00142-7
DO - 10.1016/S0009-2614(01)00142-7
M3 - RGC 21 - Publication in refereed journal
SN - 0009-2614
VL - 337
SP - 131
EP - 137
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1-3
ER -