Effects of delocalised pi-electrons around the linear acenes ring (n = 1 to 7): An electronic properties through DFT and quantum chemical descriptors
Π-electrons in chemical structure are the unique part of the fundamental particles that modify many interesting properties among the organic semiconductor molecules. By comparing the ground state energy, electronic properties and chemical indices within RHF/6-311G, B3LYP/6-311(G), B3LYP/6-311G(d,p),...
| Main Authors: | , , , , |
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| Format: | Article |
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Taylor and Francis Ltd.
2015
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