Structure and stability of B+13 clusters. - Feng Long Gu; Xiaomei Yang; Au-Chin Tang; Haijun Jiao; Paul von Ragué Schleyer (J. Comput. Chem., 1998)

Royal crown-shaped electride Li3-N3-Be containing two superatoms: New knowledge on aromaticity. - Zhi-Ru Li; Fang-Fang Wang; Di Wu 011; Ying Li; Wei Chen 014; Xiao-Ying Sun; Feng Long Gu; Yuriko Aoki (J. Comput. Chem., 2006)

Efficiency and accuracy of the elongation method as applied to the electronic structures of large systems. - Marcin Makowski; Jacek Korchowiec; Feng Long Gu; Yuriko Aoki (J. Comput. Chem., 2006)

Elongation method and supermolecule approach for the calculation of nonlinear susceptibilities. Application to the 3-Methyl-4-Nitropyridine 1-Oxide and 2-Methyl-4-Nitroaniline crystals. - Feng Long Gu; Maxime Guillaume; Edith Botek; Benoît Champagne 002; Frédéric Castet; Laurent Ducasse; Yuriko Aoki (J. Comput. Methods Sci. Eng., 2006)

Elongation method for linear scaling SCF calculations of polymers. - Jacek Korchowiec; Feng Long Gu; Yuriko Aoki (J. Comput. Methods Sci. Eng., 2006)

A Dynamic Solution for Efficient MPI Collective Communications. - Hyacinthe Nzigou Mamadou; Feng Long Gu; Vivien Oddou; Takeshi Nanri; Kazuaki J. Murakami (CSO (1), 2009)

Elongation cutoff technique armed with quantum fast multipole method for linear scaling. - Jacek Korchowiec; Jakub Lewandowski; Marcin Makowski; Feng Long Gu; Yuriko Aoki (J. Comput. Chem., 2009)

The nitrogen edge-doped effect on the static first hyperpolarizability of the supershort single-walled carbon nanotube. - Hong-Liang Xu; Fang-Fang Wang; Zhi-Ru Li; Bing-Qiang Wang; Di Wu 011; Wei Chen 014; Guang-Tao Yu; Feng Long Gu; Yuriko Aoki (J. Comput. Chem., 2009)

Describing electron correlation effects in the framework of the elongation method - Elongation-MP2: Formalism, implementation and efficiency. - Marcin Makowski; Jacek Korchowiec; Feng Long Gu; Yuriko Aoki (J. Comput. Chem., 2010)

Excess electron is trapped in a large single molecular cage C60F60. - Yin-Feng Wang; Zhi-Ru Li; Di Wu 011; Chia-Chung Sun; Feng Long Gu (J. Comput. Chem., 2010)

Theoretical study on nonlinear optical properties of the Li+[calix[4]pyrrole]Li-dimer, trimer and its polymer with diffuse excess electrons. - Guang-Tao Yu; Wei Chen 014; Feng Long Gu; Yuriko Aoki (J. Comput. Chem., 2010)

Elongation-CIS method: Describing excited states of large molecular systems in regionally localized molecular orbital basis. - Marcin Makowski; Feng Long Gu; Yuriko Aoki (J. Comput. Methods Sci. Eng., 2010)

Intermolecular covalent interaction: 20-center-2-electron covalent π/π bonding in tetrathiafulvalene radical-cation dimer TTF·+-TTF·+. - Bing-Qiang Wang; Fang-Fang Wang; Fang Ma; Zhi-Ru Li; Di Wu 011; Hong-Liang Xu; Feng Long Gu (J. Comput. Methods Sci. Eng., 2010)

A Density Functional Theory Study on Nonlinear Optical Properties of Double Cage Excess Electron Compounds: Theoretically Design M[Cu(Ag)@(NH3)n](M = Be, Mg and Ca; n = 1-3). - Yan Ying Liang; Bo Li; Xuan Xu; Feng Long Gu; Chaoyuan Zhu (J. Comput. Chem., 2019)

Nonlinear optical properties of donor-acceptor dyads formed between phthalocyanine and fullerene. - Juan Juan Tan; Feng Long Gu (J. Comput. Methods Sci. Eng., 2019)

3D-Flower-Like Copper Sulfide Nanoflake-Decorated Carbon Nanofragments-Modified Glassy Carbon Electrodes for Simultaneous Electrocatalytic Sensing of Co-existing Hydroquinone and Catechol. - Lina Abdullah Alshahrani; Liqiong Miao; Yanyu Zhang; Shengming Cheng; Palanivel Sathishkumar; Balasubramaniam Saravanakumar; Junmin Nan; Feng Long Gu (Sensors, 2019)

Functional and Basis Set Dependence for Time-Dependent Density Functional Theory Trajectory Surface Hopping Molecular Dynamics: Cis-Azobenzene Photoisomerization. - Linfeng Ye; Chao Xu; Feng Long Gu; Chaoyuan Zhu (J. Comput. Chem., 2020)