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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...
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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 ...
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Article
Open AccessmiR156 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...
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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...
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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...
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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...