How method-dependent are calculated differences between vertical, adiabatic, and 0–0 excitation energies? C Fang, B Oruganti, B Durbeej The Journal of Physical Chemistry A 118 (23), 4157-4171, 2014 | 87 | 2014 |
A possible anthracene-based optical molecular switch driven by a reversible photodimerization reaction P Zhao, CF Fang, CJ Xia, YM Wang, DS Liu, SJ Xie Applied Physics Letters 93 (1), 2008 | 81 | 2008 |
Electronic transport properties of a diarylethene-based molecular switch with single-walled carbon nanotube electrodes: The effect of chirality P Zhao, P Wang, Z Zhang, C Fang, Y Wang, Y Zhai, D Liu Solid state communications 149 (23-24), 928-931, 2009 | 38 | 2009 |
15, 16-Dinitrile DDP/CPD as a possible solid-state optical molecular switch P Zhao, C Fang, C Xia, D Liu, S Xie Chemical Physics Letters 453 (1-3), 62-67, 2008 | 35 | 2008 |
Gated electronic currents modulation and designs of logic gates with single molecular field effect transistors Y Xu, C Fang, B Cui, G Ji, Y Zhai, D Liu Applied Physics Letters 99 (4), 2011 | 34 | 2011 |
Computational design of faster rotating second-generation light-driven molecular motors by control of steric effects B Oruganti, C Fang, B Durbeej Physical Chemistry Chemical Physics 17 (33), 21740-21751, 2015 | 32 | 2015 |
The I–V characteristics of the butadienimine-based optical molecular switch: An ab initio study CJ Xia, DS Liu, CF Fang, P Zhao Physica E: Low-dimensional Systems and Nanostructures 42 (5), 1763-1768, 2010 | 32 | 2010 |
Computational study of the working mechanism and rate acceleration of overcrowded alkene-based light-driven rotary molecular motors C Fang, B Oruganti, B Durbeej RSC Advances 4 (20), 10240-10251, 2014 | 31 | 2014 |
Rectification inversion in oxygen substituted graphyne–graphene-based heterojunctions W Zhao, B Cui, C Fang, G Ji, J Zhao, X Kong, D Zou, X Jiang, D Li, D Liu Physical Chemistry Chemical Physics 17 (5), 3115-3122, 2015 | 30 | 2015 |
The electronic transport properties of zigzag silicene nanoribbon slices with edge hydrogenation and oxidation D Zou, W Zhao, C Fang, B Cui, D Liu Physical Chemistry Chemical Physics 18 (16), 11513-11519, 2016 | 28 | 2016 |
Electronic transport properties of carbon chains between Au and Ag electrodes: A first-principles study C Fang, B Cui, Y Xu, G Ji, D Liu, S Xie Physics Letters A 375 (41), 3618-3623, 2011 | 27 | 2011 |
Assessment of a composite CC2/DFT procedure for calculating 0–0 excitation energies of organic molecules B Oruganti, C Fang, B Durbeej Molecular Physics 114 (23), 3448-3463, 2016 | 22 | 2016 |
Effect of torsion angle on electronic transport through different anchoring groups in molecular junction CJ Xia, CF Fang, P Zhao, SJ Xie, DS Liu Physics Letters A 373 (41), 3787-3794, 2009 | 21 | 2009 |
Calculation of free-energy barriers with TD-DFT: A case study on excited-state proton transfer in indigo C Fang, B Durbeej The Journal of Physical Chemistry A 123 (40), 8485-8495, 2019 | 19 | 2019 |
Edge hydrogenation-induced spin-filtering and negative differential resistance effects in zigzag silicene nanoribbons with line defects X Li, D Zou, B Cui, C Fang, J Zhao, D Li, D Liu RSC advances 7 (41), 25244-25252, 2017 | 15 | 2017 |
The electronic transport properties in C60 molecular devices with different contact distances G Ji, Y Zhai, C Fang, Y Xu, B Cui, D Liu Physics Letters A 375 (14), 1602-1607, 2011 | 14 | 2011 |
Effect of contact interface configuration on electronic transport in (C20) 2-based molecular junctions G Ji, D Li, C Fang, Y Xu, Y Zhai, B Cui, D Liu Physics Letters A 376 (5), 773-778, 2012 | 13 | 2012 |
Spin transport properties in silicene-based heterojunctions with different edge hydrogenation J Zhao, C Fang, B Cui, D Zou, W Zhao, X Li, D Li, D Liu Organic Electronics 41, 333-339, 2017 | 12 | 2017 |
Enhanced rectifying performance by asymmetrical gate voltage for BDC 20 molecular devices G Ji, B Cui, Y Xu, C Fang, W Zhao, D Li, D Liu RSC Advances 4 (32), 16537-16544, 2014 | 12 | 2014 |
Electrostatic current switching and negative differential resistance behavior in a molecular device based on carbon nanotubes Y Xu, C Fang, G Ji, W Du, D Li, D Liu Physical Chemistry Chemical Physics 14 (2), 668-674, 2012 | 12 | 2012 |