| Issue Date | Title | Author(s) | Relation | scopus | WOS | Fulltext/Archive link |
| 2009 | A Comprehensive Theoretical Study of Thermal Stability and Electronic Properties of Wurtzite and Zincblene ZnOxS1-x | Fan, Xiao-feng; Lu, Y. M.; Shen, Zexiang; Kuo, Jer-Lai | NEW JOURNAL OF PHYSICS 11, 093008 | | | |
| 2009 | A First-Principle Study on The structure, Stability And Hardness of Cubic BC2N | Fan, Xiao-feng; Wu, Hongyu; Shen, Zexiang; Kuo, Jer-Lai | DIAMOND AND RELATED MATERIALS 18(10), 1278-1282 | | | |
| 2009 | A Hierarchical Approach to Study the Thermal Behavior of Protonated Water Clusters H+(H2O)n | Nguyen, Quoc Chinh; Ong, Yew-Soon; Kuo, Jer-Lai | JOURNAL OF CHEMICAL THEORY AND COMPUTATION 5(10), 2629–2639 | | | |
| 2011 | A High-Pressure Study of the Effects of TiO2 Nanoparticles on the Structural Organization of Ionic Liquids | Chang, Hai-Chou; Chang, Shu-Chieh; Hung, Tzu-Chieh; Jiang, Jyh-Chiang; Kuo, Jer-Lai; Lin, Sheng Hsien | Journal of Physical Chemistry C 115(48), 23778–23783 | | | |
| 2009 | A new layer compound Nb4SiC3 predicted from first-principles theory | Li, Chenliang; Kuo, Jer-Lai; Wang, Biao; Li, Yuanshi; Wang, Rui | JOURNAL OF PHYSICS D-APPLIED PHYSICS 42(7), 075404 | | | |
| 2011 | A possible origin of room temperature ferromagnetism in Indium–Tin oxide thin film: Surface spin polarization and ferromagnetism | Xia, Bin; Wu, Yu; Ho, Hui Wen; Ke, Chang; Song, Wen Dong; Huan, Cheng Hon Alfred; Kuo, Jer-Lai; Zhu, Wei Guang; Wang, Lan | Physica B: Condensed Matter 406(17), 3166-3169 | | | |
| 2012 | Adsorption and Diffusion of Li on Pristine and Defective Graphene | Fan, Xiaofeng; Zheng, W. T.; Kuo, Jer-Lai | ACS Applied Materials & Interfaces 4(5), 2432−2438 | | | |
| 2010 | Anticooperative Effect Induced by Mixed Solvation in H+(CH3OH)m(H2O)n (m + n = 5 and 6): A Theoretical and Infrared Spectroscopic Study | Bing, Dan; Hamashima, Toru; Fujii, Asuka; Kuo, Jer-Lai | JOURNAL OF PHYSICAL CHEMISTRY A 114(31),8170-8177 | | | |
| 2012 | Assessment of density functional approximations for the hemibonded structure of water dimer radical cation | Pan, Piin-Ruey; Lin, You-Sheng; Tsai, Ming-Kang; Kuo, Jer-Lai; Chai, Jeng-Da | PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14,10705-10712 | | | |
| 2012 | Assessment of Density Functional Theory to Calculate the Phase Transition Pressure of Ice | Kambara, Ohki; Takahashi, Kaito; Hayashi, Michitoshi; Kuo, Jer-Lai | PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14(32), 11484-11490 | | | |
| 2012 | Assessment of density functional theory to calculate the phase transition pressure of ice at 0K | Kambara, Ohki; Takahashi, Kaito; Hayashi, Michitoshi; Kuo, Jer-Lai | PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14,11484-11490 | | | |
| 2012 | Band gap opening of graphene by doping small boron nitride domains | Fan, Xiao-Feng; Zheng, W. T.; Shen, Zexiang; Liu, Ai-Qun; Kuo, Jer-Lai | Nanoscale 4(6), 2157-2165 | | | |
| 2012 | Band Gap Tuning of Graphene by Adsorption of Aromatic Molecules | Chang, Chung-Huai; Fan, Xiaofeng; Li, Lain-Jong; Kuo, Jer-Lai | Journal of Physical Chemistry C 116 (25), 13788–13794 | | | |
| 2010 | Calculation of near K edge x-ray absorption spectra and hydrogen bond network in ice XIII under compression | Zhang, Jingyun; Xiao, Zhi-Ren; Kuo, Jer-Lai | The Journal of Chemical Physics 132(18), 184506 | | | |
| 2010 | Carbon doped boron nitride cages as competitive candidates for hydrogen storage materials | Wu, Hongyu; Fan, X. F.; Kuo, Jer-Lai; Deng, Wei-Qiao | CHEMICAL COMMUNICATIONS 46(6), 883-885 | | | |
| 2010 | Composition-temperature Phase Diagram of BexZn1-xO from First Principles | Gan, Chee Kwan; Fan, Xiao-Feng; Kuo, Jer-Lai | COMPUTATIONAL MATERIALS SCIENCE 49(1), S29-S31 | | | |
| 2010 | Comprehensive Analysis on the Structure and Proton Switch in H+(CH3OH)m(H2O)n (m + n = 5 and 6) | Bing, Dan; Hamashima, Toru; Nguyen, Quoc Chinh; Fujii, Asuka; Kuo, Jer-Lai | JOURNAL OF PHYSICAL CHEMISTRY A 114(9), 3096-3102 | | | |
| 2013 | Density Functional Study of the First Wetting Layer on the GaN (0001) Surface | Chen, Yun-Wen; Kuo, Jer-Lai | Journal of Physical Chemistry C 117(17), 8774-8783 | | | |
| 2009 | Density functional study on ferromagnetism in nitrogen-doped anatase TiO2 | Tao, J. G.; Guan, L. X.; Pan, J. S.; Huan, C. H. A.; Wang, L.; Kuo, Jer-Lai; Zhang, Z.; Chai, J. W.; Wang, S. J. | APPLIED PHYSICS LETTERS 95(6), 062505 | | | |
| 2009 | Density functional theory study of finite carbon chains | Fan, Xiaofeng; Liu, Lei; Lin, J. Y.; Shen, Zexiang; Kuo, Jer-Lai | ACS Nano 3(11), 3788-3794 | | | |
