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  1. No Access

    Chapter and Conference Paper

    General Linear-Expansion Shooting Techniques Based on Minimization of Intra-Iteration Errors

    Preceded by our previous papers on linear-expansion shooting  (LIST) [Y. A. Wang, C. Y. Yam, Y. K. Chen, and G. H. Chen, J. Chem. Phys. 134, 241103 (2011); Y. K. Chen and Y. A. Wang, J. Chem. Theory Comput. 7, 3...

    Miguel Angel Garcia-Chavez, Alexei Yakovlev… in Advances in Methods and Applications of Qu… (2024)

  2. No Access

    Chapter and Conference Paper

    Effective Bond-Strength Indicators

    To save time and computer resources, we made an attempt to design reasonable yet simple s to identify weak chemical bonds, instead of performing numerous, tedious calculations of individual bond dissociation ...

    Gui-**ang Wang, Yuzhe Stan Chen, Ya-Kun Chen… in Concepts, Methods and Applications of Quan… (2018)

  3. Article

    Open Access

    miR156 switches on vegetative phase change under the regulation of redox signals in apple seedlings

    In higher plants, miR156 regulates the vegetative phase change via the target SBP/SPL genes. The regulation of miR156 during ontogenetic processes is not fully understood. In the apple genome, of 31 putative MdMI...

    **ao Lin Jia, Ya Kun Chen, **ao Zhao Xu, Fei Shen, Qing Bo Zheng… in Scientific Reports (2017)

    Download PDF (2785 KB) View Article

  4. No Access

    Article

    Accurate potential surfaces for the ground state of H+C2 reaction

    Three-dimensional potential energy surfaces (PESs) have been computed, and numerically fitted, for the ground states of C2H system, which are of importance for the smallest carbon cluster, dicarbon (C2) and dyna...

    De-Quan Wang, Li-Wei Fu, Ze-**ng Qu, Ya-Kun Chen… in The European Physical Journal D (2017)

  5. No Access

    Chapter and Conference Paper

    Population Analyses Based on Ionic Partition of Overlap Distributions

    Borrowing ideas from Hess’s law in thermodynamics and the holographic electron density theorem, we have proposed two novel population analyses based on ionic partition of overlap distributions (IPOD). The IPOD...

    Ya Kun Chen, Yan Alexander Wang in Quantum Systems in Physics, Chemistry, and Biology (2017)

  6. No Access

    Chapter

    Electronic Properties and Reactivities of Perfect, Defected, and Doped Single-Walled Carbon Nanotubes

    After we thoroughly surveyed first-principles theoretical methods commonly employed in the studies of carbon nanotubes, we highlighted the performance of such ab inito methods on the electronic properties and rea...

    Wei Quan Tian, Lei Vincent Liu, Ya Kun Chen… in Trends in Computational Nanomechanics (2010)