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L. X. Guan, J. G. Tao, C. H. A. Huan, Jer-Lai Kuo, L. Wang
Nonconventional magnetism in pristine and alkali doped In2O3: Density functional study
J. Appl. Phys.108, 093911 (2010) link
J.G. Tao, L.X. Guan, J.S. Pan, C.H.A. Huan, L. Wang, Jer-Lai Kuo
Possible room temperature ferromagnetism of Li-doped anatase TiO2: A first-principles study
Phys. Lett. 374, 4451 (2010) link
Xiaofeng Fan, Lei Liu, Jer-Lai Kuo, and Zexiang Shen
Functionalizing Single- and Multi-layer Graphene with Br and Br2
J. Phys. Chem. C 114, 14939 (2010) link
X. Zhang, Jer-Lai Kuo, M. Gu, Ping Bai, and Chang Q. Sun
Graphene Nanoribbon Band-Gap Expansion: Broken-Bond-Induced Edge Strain and Quantum Trap Depression
Nanoscale 2, 2160 (2010) link
Xiaofeng Fan, Dan Bing, Jingyun Zhang, Zexiang Shen, and Jer-Lai Kuo
Predicting the hydrogen bond ordered structures of ice Ih, II, III, VI and ice VII: DFT methods with localized based set
Comp. Mater. Sci. 49, S170 (2010)link
Qiang Xu, Weijun Fan, and Jer-Lai Kuo
The natural valence band offset of dilute GaAs1−xNx and GaAs: The first-principles approach
Comp. Mater. Sci. 49, S150 (2010) link
Jingyun Zhang, Zhi-Ren Xiao, and Jer-Lai Kuo
Calculation of near K edge x-ray absorption spectra and hydrogen bond network in ice XIII under compression
J. Chem. Phys. 132, 184506 (2010) link
Chee Kwan Gan, Xiao-Feng Fan, and Jer-Lai Kuo
Composition-temperature Phase Diagram of BexZn1-xO from First Principles
Comp. Mater. Sci. 49, S29 (2010) link
Dan Bing, Toru Hamashima, Asuka Fujii and Jer-Lai Kuo
Anticooperative Effect Induced by Mixed Solvation in H+(CH3OH)m(H2O)n (m + n = 5 and 6): A Theoretical and Infrared Spectroscopic Study
J. Phys. Chem. 114, 8170 (2010) link
Harold Soh, Yew Soon Ong, Quoc Chinh Nguyen, Quoc Huy Nguyen, Mohamed Salahuddin Habibullah, Terence Hung and Jer-Lai Kuo
Discovering Unique, Low-Energy Pure Water Isomers: Memetic Optimization and Landscape Analysis
IEEE/ACM Transactions on Computational Biology & Bioinformatics 14, 419 (2010) link
Xiaofeng Fan, Zexuan Zhu, Lei Liu, Zexiang Shen, and Jer-Lai Kuo
Theoretical Study on Structural Stability of Alloy Cages: A Case of Silicon-Doped Heterofullerenes
Commun. Comput. Phys. 8, 289 (2010) link
Xi Zhang, Jer-lai Kuo, Mingxia Gu, Xiaofeng Fan, Ping Bai, Qing-Gong Song, and Chang Q. Sun
Local structure relaxation, quantum trap depression, and valence charge polarization induced by the shorter-and-stronger bonds between undercoordinated atoms in gold nanostructures
Nanoscale 2, 412 (2010) link
X. F. Fan, L. Liu, R. Q. Wu, G. W. Peng, H. M. Fan, Y. P. Feng, J-L Kuo and Z X Shen
The role of sp-hybridized atoms in carbon ferromagnetism: a spin-polarized density functional theory calculation
J. Phys.: Condens. Matter 22, 046001(2010) link
Hongyu Wu, X. F. Fan, Jer-Lai Kuo and Wei-Qiao Deng
Carbon doped boron nitride cages as competitive candidates for hydrogen storage materials
Chem. Commun. 46, 883 (2010) link
Hongyu Wu, Xiao-feng Fan, and Jer-Lai Kuo
Direct Enumeration of Wurtzite BC2N Configurations for Structural Stability and Hardness Evaluation
Diamond and related materials 19, 100 (2010) link
Chen-liang Li, Jer-Lai Kuo, Biao Wang and Rui Wang
Effects of X (V, W, Mo, Hf, Ta, Zr) additions on the ideal brittle cleavage in Cr2Nb: First-principles determination
Intermetallics 18, 65 (2010) link
Rujee Lorpitthaya, Zhi-Zhong Xie, Sophy Bhasi Kunnappilly, Jer-Lai Kuo, and Xue-Wei Liu
Mechanistic Insights into the Substrate-Controlled Stereochemistry of Glycals in One-Pot Rhodium-Catalyzed Aziridination and Aziridine Ring Opening
Chemistry - A European Journal 16, 588 (2010) link
Liang Yu Yan, Weifeng Li, Xiao Feng Fan, Li Wei, Yuan Chen, Jer-Lai Kuo, Lain-Jong Li, Sang Kyu Kwak, Yuguang Mu, Mary B. Chan-Park
Enrichment of (8,4) Single-Walled Carbon Nanotubes Through Coextraction with Heparin
Small 6, 110 (2010) link
Dan Bing, Toru Hamashima, Quoc Chinh Nguyen, Asuka Fujii, and Jer-Lai Kuo
Comprehensive Analysis on the Structure and Proton Switch in H+(CH3OH)m(H2O)n (m + n = 5 and 6)
J. Phys. Chem. A 114, 3096 (2010) link
Mostafa M.H. Ellabaan, Yew Soon, M. H. Lim and Jer-Lai Kuo
Finding Multiple First Order Saddle Points Using a Valley Adaptive Clearing Genetic Algorithm
IEEE International Symposium on Computational Intelligence in Robotics and Automation (CIRA'09) link
L. X. Guan, J. G. Tao, C. H. A. Huan, Jer-Lai Kuo and L. Wang, "Nonconventional magnetism in pristine and alkali doped In2O3: Density functional study, J. Appl. Phys. 108, 093911 (2010) link pdf
J.G. Tao, L.X. Guan, J.S. Pan, C.H.A. Huan, L. Wang and Jer-Lai Kuo, "Possible room temperature ferromagnetism of Li-doped anatase TiO2: A first-principles study'', Phys. Lett. 374, 4451 (2010) link pdf
Xiaofeng Fan, Lei Liu, Jer-Lai Kuo, and Zexiang Shen, "Functionalizing Single- and Multi-layer Graphene with Br and Br2'', J. Phys. Chem. C 114, 14939 (2010) link pdf
X. Zhang, Jer-Lai Kuo, M. Gu, Ping Bai, and Chang Q. Sun, "Graphene Nanoribbon Band-Gap Expansion: Broken-Bond-Induced Edge Strain and Quantum Trap Depression, Nanoscale 2, 2160 (2010) link pdf
Xiaofeng Fan, Dan Bing, Jingyun Zhang, Zexiang Shen, and Jer-Lai Kuo, "Predicting the hydrogen bond ordered structures of ice Ih, II, III, VI and ice VII: DFT methods with localized based set'', Comp. Mater. Sci. 49, S170 (2010)link pdf
Qiang Xu, Weijun Fan, and Jer-Lai Kuo, "The natural valence band offset of dilute GaAs1−xNx and GaAs: The first-principles approach'', Comp. Mater. Sci. 49, S150 (2010) link pdf
Jingyun Zhang, Zhi-Ren Xiao, and Jer-Lai Kuo, "Calculation of near K edge x-ray absorption spectra and hydrogen bond network in ice XIII under compression'', J. Chem. Phys. 132, 184506 (2010) link pdf
Chee Kwan Gan, Xiao-Feng Fan, and Jer-Lai Kuo, "Composition-temperature Phase Diagram of BexZn1-xO from First Principles'',Comp. Mater. Sci. 49, S29 (2010) link pdf
Dan Bing, Toru Hamashima, Asuka Fujii and Jer-Lai Kuo, "Anticooperative Effect Induced by Mixed Solvation in H+(CH3OH)m(H2O)n (m + n = 5 and 6): A Theoretical and Infrared Spectroscopic Study'', J. Phys. Chem. 114, 8170 (2010) linkpdf
Harold Soh, Yew Soon Ong, Quoc Chinh Nguyen, Quoc Huy Nguyen, Mohamed Salahuddin Habibullah, Terence Hung and Jer-Lai Kuo, "Discovering Unique, Low-Energy Pure Water Isomers: Memetic Optimization and Landscape Analysis'', IEEE/ACM Transactions on Computational Biology & Bioinformatics 14, 419 (2010) link pdf
Xiaofeng Fan, Zexuan Zhu, Lei Liu, Zexiang Shen, and Jer-Lai Kuo, "Theoretical Study on Structural Stability of Alloy Cages: A Case of Silicon-Doped Heterofullerenes", Commun. Comput. Phys. 8, 289 (2010) link pdf
Xi Zhang, Jer-lai Kuo, Mingxia Gu, Xiaofeng Fan, Ping Bai, Qing-Gong Song, and Chang Q. Sun, "Local structure relaxation, quantum trap depression, and valence charge polarization induced by the shorter-and-stronger bonds between undercoordinated atoms in gold nanostructures", Nanoscale 2, 412 (2010) link pdf
X. F. Fan, L. Liu, R. Q. Wu, G. W. Peng, H. M. Fan, Y. P. Feng, J-L Kuo and Z X Shen, "The role of sp-hybridized atoms in carbon ferromagnetism: a spin-polarized density functional theory calculation'', J. Phys.: Condens. Matter 22, 046001(2010) linkpdf
Hongyu Wu, X. F. Fan, Jer-Lai Kuo and Wei-Qiao Deng, "Carbon doped boron nitride cages as competitive candidates for hydrogen storage materials'', Chem. Commun. 46, 883 (2010) link pdf
Hongyu Wu, Xiao-feng Fan, and Jer-Lai Kuo, "Direct Enumeration of Wurtzite BC2N Configurations for Structural Stability and Hardness Evaluation'', Diamond and related materials 19, 100 (2010) link pdf
Chen-liang Li, Jer-Lai Kuo, Biao Wang and Rui Wang, "Effects of X (V, W, Mo, Hf, Ta, Zr) additions on the ideal brittle cleavage in Cr2Nb: First-principles determination'', Intermetallics 18, 65 (2010) link pdf
Rujee Lorpitthaya, Zhi-Zhong Xie, Sophy Bhasi Kunnappilly, Jer-Lai Kuo, and Xue-Wei Liu, "Mechanistic Insights into the Substrate-Controlled Stereochemistry of Glycals in One-Pot Rhodium-Catalyzed Aziridination and Aziridine Ring Opening'',Chemistry - A European Journal 16, 588 (2010) link pdf
Liang Yu Yan, Weifeng Li, Xiao Feng Fan, Li Wei, Yuan Chen, Jer-Lai Kuo, Lain-Jong Li, Sang Kyu Kwak, Yuguang Mu, Mary B. Chan-Park, "Enrichment of (8,4) Single-Walled Carbon Nanotubes Through Coextraction with Heparin'', Small 6, 110 (2010)link pdf
Dan Bing, Toru Hamashima, Quoc Chinh Nguyen, Asuka Fujii, and Jer-Lai Kuo, "Comprehensive Analysis on the Structure and Proton Switch in H+(CH3OH)m(H2O)n (m + n = 5 and 6)'', J. Phys. Chem. A 114, 3096 (2010) link pdf
Mostafa M.H. Ellabaan, Yew Soon, M. H. Lim and Jer-Lai Kuo, "Finding Multiple First Order Saddle Points Using a Valley Adaptive Clearing Genetic Algorithm", IEEE International Symposium on Computational Intelligence in Robotics and Automation (CIRA'09) link pdf
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