119 citations · 771 across the 19 of their papers we have counts for
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physics.chem-ph2016★ 77 cited
Role of Kekulé and Non-Kekulé Structures in the Radical Character of Alternant Polycyclic Aromatic Hydrocarbons: A TAO-DFT Study
Chia-Nan Yeh, Jeng-Da Chai
We investigate the role of Kekule and non-Kekule structures in the radical character of alternant polycyclic aromatic hydrocarbons (PAHs) using thermally-assisted-occupation densit…
physics.chem-ph2016★ 12 cited
Electronic and Optical Properties of the Narrowest Armchair Graphene Nanoribbons Studied by Density Functional Methods
Chia-Nan Yeh, Pei-Yin Lee, Jeng-Da Chai
In the present study, a series of planar poly(p-phenylene) (PPP) oligomers with n phenyl rings (n = 1 - 20), designated as n-PP, are taken as finite-size models of the narrowest ar…