【期刊论文】The Valence Bond Calculations for Conjugated Hydrocarbons Having 24-28 π-Electrons
江元生,JIANWU, YUANSHENG JIANG
【期刊论文】"Triplet-excited region" in polyene oligomers revisited: Pariser-Parr-Pople model studied with the density matrix renormalization group method
江元生,Haibo Ma, Chungen Liu,a) and Yuansheng Jiangb)
【期刊论文】A Time-Dependent DFT Study on Band Gaps and Effective Conjugation Lengths of Polyacetylene, Polyphenylene, Polypentafulvene, Polycyclopentadiene, Polypyrrole, Polyfuran, Polysilole, Polyphosphole, and Polythiophene
江元生,Jing Ma,*, Shuhua Li, and Yuansheng Jiang
【期刊论文】Mechanism of H2O2 Dismutation Catalyzed by a New Catalase Mimic (a Non-Heme Dibenzotetraaza [14] annulene-Fe (Ⅲ) Complex): A Density Functional Theory Investigation
江元生,Xin Wang, Shuhua Li,* and Yuansheng Jiang
【期刊论文】Linear Scaling Local Correlation Approach for Solving the Coupled Cluster Equations of Large Systems
江元生,SHUHUA LI, JING MA, YUANSHENG JIANG
【期刊论文】DFT Study on Ferroelectricity of BaTiO3
江元生,Zhao-Xu Chen, Yi Chen, and Yuan-Sheng Jiang*
【期刊论文】The Valence Bond Study for Benzenoid Hydrocarbons of Medium to Infinite Sizes
江元生,Yi Gao, Chun-Gen Liu, and Yuan-Sheng Jiang*
【期刊论文】Polarizability and hyperpolarizability of push
江元生,Yinghong Sheng and Yuansheng Jiang*
【期刊论文】Can the Low-Lying Electronic States of Benzenoid Hydrocarbons Be Described by the Semiempirical Valence Bond Approach?
江元生,Jing Ma, Shuhua Li,* and Yuansheng Jiang*
【期刊论文】Theoretical study of the lowest π→π* excitation energies for neutral and doped polyenes
江元生,Haibo Ma, Chungen Liu,a) and Yuansheng Jiang b)
【期刊论文】Charge-Doped and Heteroatom-Substituted Polysilane, Poly(vinylenedisilanylene), and Poly (butadienylenedisilanylene): Electronic Structures and Band Gaps
江元生,Guiling Zhang,†,‡, Jing Ma,*,† and Yuansheng Jiang†
【期刊论文】Effective Valence Bond Model Study on Conjugated Hydrocarbons Containing Four-Membered Rings
江元生,Jing Ma, Shuhua Li, and Yuansheng Jiang*
【期刊论文】Formation Mechanisms and Packing Structures of Alkoxyl and Alkyl Monolayers on Si(111): Theoretical Studies with Quantum Chemistry and Molecular Simulation Models 12631-12632.
江元生,Yong Pei, Jing Ma,* and Yuansheng Jiang
【期刊论文】Is Ferromagnetic Spin Coupling Constant within Homologous Di-and Triradicals?
江元生,Shuhua Li, Jing Ma, and Yuansheng Jiang*
【期刊论文】Pair-correlated coupled cluster theory: An alternative multireference coupled cluster method
江元生,Shuhua Li,a) Jing Ma, and Yuansheng Jiang
【期刊论文】Bond Lengths, Reactivities, and Aromaticities of Benzenoid Hydrocarbons Based on the Valence Bond Calculations