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[会议论文] 作者：Feng Long Gu,
来源：第五届国际理论化学、分子模拟和生命科学研讨会 年份：2010
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[会议论文] 作者：David R.Price,Feng Long Gu,
来源：第六届国际理论化学、分子模拟和生命科学研讨会暨科学计算和模拟软件发展平台学术交流会 年份：2011
Currently, ELG-SCF achieves linear scaling for large systems when coupled with quantum fast multipole methods [1-2].However, a simpler method forms the Fock...
[会议论文] 作者：Price,Feng Long Gu,
来源：第十一届全国量子化学会议 年份：2011
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[会议论文] 作者：Li Kai Yan,Feng Long Gu,Yuriko Aoki,
来源：The International Conference on Theory and Applications of C 年份：2008
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[会议论文] 作者：Liang Peng,Daoling Peng,Feng Long Gu,Weitao Yang,
来源：第十三届全国量子化学会议 年份：2017
A linear scaling method based on non-orthogonal localized molecular orbitals(NOLMO)has been proposed.NOLMOs are the most localized representation of electro...
A TDDFT Approach for Calculating Frequency Dependent Polarizabilities and Excitation Energies with N
[会议论文] 作者：Daoling Peng,Liang Peng,Feng Long Gu,Weitao Yang,
来源：第十三届全国量子化学会议 年份：2017
Time dependent density functional theory(TDDFT)is a useful tool to calculate molecular properties with reasonable computational costs comparing to wave function based ab initio approaches.A linear sca...
The Sequential Reduction and Oxidation Mechanism for TBBPA Degradation under UV/Fenton: The Theoreti
[会议论文] 作者：Xiao Huang,Liang Peng,Shaopeng Li,Feng Long Gu,
来源：第十二届全国量子化学会议 年份：2014
Tetrabromobisphenol A(TBBPA),a widely used brominated flame retardant,is harmful to human and wildlife in various aspects as an endocrine disruptor.The DFT calculations both in gaseous phase and aqueo...
Diazo Esters as Dienophiles in Intramolecular(4+2)Cycloadditions:Computational Explorations of Mecha
[会议论文] 作者：Abing Duan,Peiyuan Yu,Fang Liu,Feng Long Gu,K.N.Houk,
来源：第十三届全国量子化学会议 年份：2017
The first experimental examples of Diels–Alder(DA)reactions of diazo compounds as heterodienophiles with dienes have been studied with density functional theory(DFT)using the M06-2X functional....
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