Feng Long Gu

发表

Royal crown‐shaped electride Li3‐N3‐Be containing two superatoms: New knowledge on aromaticity

Xiao Ying Sun, Zhi Ru Li, Fang Fang Wang, 2006, J. Comput. Chem..

Elongation-CIS method: Describing excited states of large molecular systems in regionally localized molecular orbital basis

Feng Long Gu, Yuriko Aoki, Marcin Makowski, 2010, J. Comput. Methods Sci. Eng..

At the Cutting Edge of a Petascale Computing World: An Overview of Petascale System Interconnect Project

Kazuaki Murakami, Feng Long Gu, Koji Inoue, 2007 .

Describing electron correlation effects in the framework of the elongation method—Elongation‐MP2: Formalism, implementation and efficiency

Feng Long Gu, Yuriko Aoki, Marcin Makowski, 2009, J. Comput. Chem..

Investigating the Performance of Collective Communications on SMP Clusters: A Case for MPI_Allgather

Kazuaki Murakami, Feng Long Gu, Takeshi Nanri, 2008 .

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

Benoît Champagne, Feng Long Gu, Yuriko Aoki, 2006, J. Comput. Methods Sci. Eng..

Efficiency and accuracy of the elongation method as applied to the electronic structures of large systems

Feng Long Gu, Yuriko Aoki, Jacek Korchowiec, 2006, J. Comput. Chem..

Functional and Basis Set Dependence for Time‐Dependent Density Functional Theory Trajectory Surface Hopping Molecular Dynamics: Cis‐Azobenzene Photoisomerization

Feng Long Gu, Chao Xu, Linfeng Ye, 2019, J. Comput. Chem..

Nonlinear optical properties of donor-acceptor dyads formed between phthalocyanine and fullerene

Feng Long Gu, Juan Juan Tan, F. Gu, 2019, J. Comput. Methods Sci. Eng..

Structure and stability of B+13 clusters

Feng Long Gu, Paul von Ragué Schleyer, Haijun Jiao, 1998, J. Comput. Chem..

Intermolecular covalent interaction: 20-center-2-electron covalent π/π bonding in tetrathiafulvalene radical-cation dimer TTF·+-TTF·+

Feng Long Gu, Fang Ma, Hong-Liang Xu, 2010, J. Comput. Methods Sci. Eng..

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)

Feng Long Gu, Xuan Xu, Bo Li, 2018, J. Comput. Chem..

Excess electron is trapped in a large single molecular cage C60F60

Chia-Chung Sun, Feng Long Gu, Di Wu, 2010, J. Comput. Chem..

Evaluation of the performance of parallel sparse-matrix multiplication and the effect of dynamic load-balancing

Kazuaki Murakami, Hiroaki Ishihata, Feng Long Gu, 2008 .

Theoretical study on nonlinear optical properties of the Li+[calix[4]pyrrole]Li−dimer, trimer and its polymer with diffuse excess electrons

Wei Chen, Feng Long Gu, Yuriko Aoki, 2009, J. Comput. Chem..

Implementation of GAMESS on Parallel Computers: TCP/IP versus MPI

Kazuaki Murakami, Feng Long Gu, Takeshi Nanri, 2006 .

SMMH—A Parallel Heuristic for Combinatorial Optimization Problems

Kazuaki Murakami, Feng Long Gu, Takeshi Nanri, 2008 .

3D-Flower-Like Copper Sulfide Nanoflake-Decorated Carbon Nanofragments-Modified Glassy Carbon Electrodes for Simultaneous Electrocatalytic Sensing of Co-existing Hydroquinone and Catechol

Feng Long Gu, Junmin Nan, Lina Abdullah Alshahrani, 2019, Sensors.

A Dynamic Solution for Efficient MPI Collective Communications

Kazuaki Murakami, Feng Long Gu, Takeshi Nanri, 2009, 2009 International Joint Conference on Computational Sciences and Optimization.

Coupled-Perturbed SCF Approach for Calculating Static Polarizabilities and Hyperpolarizabilities with Nonorthogonal Localized Molecular Orbitals.

Liang Peng, Feng Long Gu, Shaopeng Li, 2015, Journal of chemical theory and computation.

Elongation cutoff technique armed with quantum fast multipole method for linear scaling

Feng Long Gu, Yuriko Aoki, Marcin Makowski, 2009, J. Comput. Chem..

Elongation method for linear scaling SCF calculations of polymers

Feng Long Gu, Yuriko Aoki, Jacek Korchowiec, 2006, J. Comput. Methods Sci. Eng..

The structure and the large nonlinear optical properties of Li@calix[4]pyrrole.

Feng Long Gu, Wei Chen, Di Wu, 2005, Journal of the American Chemical Society.

Crystal orbital calculation of coupled-perturbed Hartree–Fock dynamic (hyper)polarizabilities for polydiacetylene and polybutatriene

Feng Long Gu, Yuriko Aoki, David M. Bishop, 2002 .

Flavonoids mediated ‘Green’ nanomaterials: A novel nanomedicine system to treat various diseases – Current trends and future perspective

Feng Long Gu, Palanivel Sathishkumar, Qiuqiang Zhan, 2018 .

Elongation Method: Towards Linear Scaling for Electronic Structure of Random Polymers and other Quasilinear Materials

Feng Long Gu, Yuriko Aoki, Bernard Kirtman, 2011 .

Extension of the Genkin and Mednis treatment for dynamic polarizabilities and hyperpolarizabilities of infinite periodic systems. I. Coupled perturbed Hartree–Fock theory

Feng Long Gu, D. M. Bishop, Bernard Kirtman, 2000 .

Remarkable nonlinear optical response of excess electron compounds: theoretically designed alkali-doped aziridine M-(C2NH5)n.

Feng Long Gu, Bo Li, Chaoyuan Zhu, 2017, Physical chemistry chemical physics : PCCP.

Static and dynamic polarizabilities and first hyperpolarizabilities for CH4, CF4, and CCl4

Feng Long Gu, D. M. Bishop, David M. Bishop, 1998 .

Effective preconditioning for ab initio ground state energy minimization with non-orthogonal localized molecular orbitals.

Feng Long Gu, Weitao Yang, Liang Peng, 2013, Physical chemistry chemical physics : PCCP.

Copper oxide and carbon nano-fragments modified glassy carbon electrode as selective electrochemical sensor for simultaneous determination of catechol and hydroquinone in real-life water samples

Feng Long Gu, Junmin Nan, Lina Abdullah Alshahrani, 2018 .

Band structure built from oligomer calculations.

Feng Long Gu, Bernard Kirtman, B. Kirtman, 2008, The Journal of chemical physics.

Structures and large NLO responses of new electrides: Li-doped fluorocarbon chain.

Feng Long Gu, Yuriko Aoki, Hong-Liang Xu, 2007, Journal of the American Chemical Society.

Diazo Esters as Dienophiles in Intramolecular (4 + 2) Cycloadditions: Computational Explorations of Mechanism.

Feng Long Gu, Peiyuan Yu, K N Houk, 2017, Journal of the American Chemical Society.

Elongation method at restricted open-shell Hartree–Fock level of theory

Feng Long Gu, Yuriko Aoki, Jacek Korchowiec, 2005 .

What is the role of the complexant in the large first hyperpolarizability of sodide systems Li(NH3)(n)Na (n = 1-4)?

Feng Long Gu, Bing-Qiang Wang, Di Wu, 2006, The journal of physical chemistry. B.