Ya-ling Ye
Nanping, 353006, China
Last Updated: 09/26/2026
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Found 10 publications
Theoretical Insights into the Reaction Mechanisms of CO Oxidation Catalyzed by Al12X (X = Be, Al, C, and P) Superatoms: The Number of Valence Electrons Determines?
Journal: The journal of physical chemistry. A
Published: November 29, 2025
Substituting Superhalogens for the Fluorine Atom of 5-Fluorouracil: A New Approach to Modulate its Structure, Electronic Properties, and Chemical Reactivity.
Journal: Chemphyschem : a European journal of chemical physics and physical chemistry
Published: July 12, 2025
On the potential of the WSi12 superatom as a drug carrier: a DFT study.
Journal: Physical chemistry chemical physics : PCCP
Published: February 28, 2025
Theoretical prediction of superatom WSi12-based catalysts for CO oxidation by N2O.
Journal: Physical chemistry chemical physics : PCCP
Published: November 24, 2023
Polymeric tungsten carbide nanoclusters as potential non-noble metal catalysts for CO oxidation.
Journal: Nanoscale
Published: December 05, 2022
On the Catalytic Performance of (ZrO)n (n=1-4) Clusters for CO Oxidation: A DFT Study.
Journal: Chemphyschem : a European journal of chemical physics and physical chemistry
Published: October 17, 2022
Designing Special Nonmetallic Superalkalis Based on a Cage-like Adamanzane Complexant.
Journal: Frontiers in chemistry
Published: January 12, 2022
DFT study on the adsorption of 5-fluorouracil on B40, B39M, and M@B40 (M = Mg, Al, Si, Mn, Cu, Zn).
Journal: RSC advances
Published: November 12, 2021
Designing an alkali-metal-like superatom Ca3B for ambient nitrogen reduction to ammonia.
Journal: Physical chemistry chemical physics : PCCP
Published: October 06, 2021
On the Role of Alkali-Metal-Like Superatom Al12 P in Reduction and Conversion of Carbon Dioxide.
Journal: Chemistry (Weinheim an der Bergstrasse, Germany)
Published: August 11, 2020
Showing 1-10 of 10
Last Updated: 09/26/2026