Xugeng Guo

Theoretical insights into the 1D‐charge transport properties in a series of hexaazatrinaphthylene‐based discotic molecules

Xiao Pan, Wenpeng Wu, Beibei An, 2018, J. Comput. Chem..

Theoretical study on photophysical properties of a series of functional pyrimidine‐based organic light‐emitting diodes emitters presenting thermally activated delayed fluorescence

Qiuling Zhu, Xugeng Guo, Jinglai Zhang, 2019, J. Comput. Chem..

A CASSCF/CASPT2 insight into excited‐state intramolecular proton transfer of four imidazole derivatives

Li Wang, Yuanyuan Li, Xugeng Guo, 2015, J. Comput. Chem..

Theoretical studies on thermally activated delayed fluorescence mechanism of a series of organic light‐emitting diodes emitters comprising 2,7‐diphenylamino‐9,9‐dimethylacridine as electron donor

Keke Wen, Songyan Feng, Xugeng Guo, 2018, J. Comput. Chem..

Theoretical studies on structures and electronic spectra of linear HC2n+1H+ (n = 2-7)

Zexing Cao, Xugeng Guo, Z. Cao, 2010 .

Electronic spectra of the linear polyyne cations HC(2n)H(+) (n=2-8): An ab initio study.

Zexing Cao, Xugeng Guo, Z. Cao, 2009, The Journal of chemical physics.

The effects of TiO2 coating on the electrochemical performance of Li[Li0.2Mn0.54Ni0.13Co0.13]O2 cathode material for lithium-ion battery

Xugeng Guo, Jianming Zheng, Zhongru Zhang, 2008 .

Theoretical studies on electroluminescent mechanism of a series of thermally activated delayed fluorescence emitters possessing asymmetric-triazine-cored triads.

Huijuan Yuan, Keke Wen, Songyan Feng, 2018, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Ultrafast excited-state deactivation of 9-methylhypoxanthine in aqueous solution: A QM/MM MD study.

Huijuan Yuan, Beibei An, Xugeng Guo, 2016, The Journal of chemical physics.