Chen, Y-W, Kuo J-L.? 2013.??Density Functional Study of the First Wetting Layer on the GaN (0001) Surface. The Journal of Physical Chemistry C. 117:8774-8783., Number 17

Hamashima, T, Li Y-C, Wu MCH, Mizuse K, Kobayashi T, Fujii A, Kuo J-L.? 2013.??Folding of the Hydrogen Bond Network of H+(CH3OH)7 with Rare Gas Tagging. The Journal of Physical Chemistry A. 117:101-107., Number 1

Fan, X, Zheng WT, Kuo J-L.? 2013.??Oxygen reduction reaction on active sites of heteroatom-doped graphene. RSC Adv.. 3:5498-5505.: The Royal Society of Chemistry

Kobayashi, T, Shishido R, Mizuse K, Fujii A, Kuo J-L.? 2013.??Structures of hydrogen bond networks formed by a few tens of methanol molecules in the gas phase: size-selective infrared spectroscopy of neutral and protonated methanol clusters. Phys. Chem. Chem. Phys.. 15:9523-9530.: The Royal Society of Chemistry

Wu, H, Fan X, Kuo J-L.? 2012.??Metal free hydrogenation reaction on carbon doped boron nitride fullerene: A DFT study on the kinetic issue. International Journal of Hydrogen Energy. 37:14336-14342., Number 19

Fan, X, Zheng WT, Kuo J-L.? 2012.??Adsorption and Diffusion of Li on Pristine and Defective Graphene. ACS Applied Materials & Interfaces. 4:2432-2438., Number 5

Pan, P-R, Lin Y-S, Tsai M-K, Kuo J-L, Chai J-D.? 2012.??Assessment of density functional approximations for the hemibonded structure of the water dimer radical cation. Phys. Chem. Chem. Phys.. 14:10705-10712.: The Royal Society of Chemistry

Kambara, O, Takahashi K, Hayashi M, Kuo J-L.? 2012.??Assessment of density functional theory to calculate the phase transition pressure of ice. Phys. Chem. Chem. Phys.. 14:11484-11490.: The Royal Society of Chemistry

Fan, X, Shen Z, Liu AQ, Kuo J-L.? 2012.??Band gap opening of graphene by doping small boron nitride domains. Nanoscale. 4:2157-2165.: The Royal Society of Chemistry

Chang, C-H, Fan X, Li L-J, Kuo J-L.? 2012.??Band Gap Tuning of Graphene by Adsorption of Aromatic Molecules. The Journal of Physical Chemistry C. 116:13788-13794., Number 25

Tsai, M-K, Kuo J-L, Lu J-M.? 2012.??The dynamics and spectroscopic fingerprint of hydroxyl radical generation through water dimer ionization: ab initio molecular dynamic simulation study. Phys. Chem. Chem. Phys.. 14:13402-13408.: The Royal Society of Chemistry

ELLABAAN, MOSTAFAMH, ONG YEWSOON, NGUYEN QC, Kuo J-L.? 2012.??EVOLUTIONARY DISCOVERY OF TRANSITION STATES IN WATER CLUSTERS. Journal of Theoretical and Computational Chemistry. 11:965-995., Number 05

Zhang, J, Kuo J-L, Iitaka T.? 2012.??First principles molecular dynamics study of filled ice hydrogen hydrate. The Journal of Chemical Physics. 137:084505., Number 8: AIP

Fan, XF, Zheng WT, Chihaia V, Shen ZX, Kuo J-L.? 2012.??Interaction between graphene and the surface of SiO 2. Journal of Physics: Condensed Matter. 24:305004., Number 30

Shishido, R, Kuo J-L, Fujii A.? 2012.??Structures and Dissociation Channels of Protonated Mixed Clusters around a Small Magic Number: Infrared Spectroscopy of ((CH3)3N)n?H+?H2O (n = 1?3). The Journal of Physical Chemistry A. 116:6740-6749., Number 25

Jungthawan, S, Limpijumnong S, Kuo J-L.? 2011.??Electronic structures of graphene/boron nitride sheet superlattices, Dec. Phys. Rev. B. 84:235424.: American Physical Society

Zhu, Z, Ji Z, Fan X, Kuo J-L.? 2011.??Memetic figure selection for cluster expansion in binary alloy systems. Memetic Computing (MC), 2011 IEEE Workshop on. :1-6.

Wu, H-Y, Fan X, Kuo J-L, Deng W-Q.? 2011.??DFT Study of Hydrogen Storage by Spillover on Graphene with Boron Substitution. The Journal of Physical Chemistry C. 115:9241-9249., Number 18

Zhang, X, Nie Y, Zheng W, Kuo J-L, Sun CQ.? 2011.??Discriminative generation and hydrogen modulation of the Dirac-Fermi polarons at graphene edges and atomic vacancies. Carbon. 49:3615-3621., Number 11

Chang, H-C, Chang S-C, Hung T-C, Jiang J-C, Kuo J-L, Lin SH.? 2011.??A High-Pressure Study of the Effects of TiO2 Nanoparticles on the Structural Organization of Ionic Liquids. The Journal of Physical Chemistry C. 115:23778-23783., Number 48

Zhang, W, Lin C-T, Liu K-K, Tite T, Su C-Y, Chang C-H, Lee Y-H, Chu C-W, Wei K-H, Kuo J-L, Li L-J.? 2011.??Opening an Electrical Band Gap of Bilayer Graphene with Molecular Doping. ACS Nano. 5:7517-7524., Number 9

Tan, OZ, Wu MCH, Chihaia V, Kuo J-L.? 2011.??Physisorption Structure of Water on the GaN Polar Surface: Force Field Development and Molecular Dynamics Simulations. The Journal of Physical Chemistry C. 115:11684-11693., Number 23

Xia, B, Wu Y, Ho HW, Ke C, Song WD, Huan CHA, Kuo JL, Zhu WG, Wang L.? 2011.??A possible origin of room temperature ferromagnetism in Indium?Tin oxide thin film: Surface spin polarization and ferromagnetism. Physica B: Condensed Matter. 406:3166-3169., Number 17

Tan, OZ, Tsai KH, Wu MCH, Kuo J-L.? 2011.??Structural and Dynamic Properties of Water on the GaN Polar Surface. The Journal of Physical Chemistry C. 115:22444-22450., Number 45

Mizuse, K, Kuo J-L, Fujii A.? 2011.??Structural trends of ionized water networks: Infrared spectroscopy of water cluster radical cations (H2O)n+ (n = 3-11). Chem. Sci.. 2:868-876.: The Royal Society of Chemistry