P
Ping Li
Researcher at Qufu Normal University
Publications - 14
Citations - 152
Ping Li is an academic researcher from Qufu Normal University. The author has contributed to research in topics: Atoms in molecules & Natural bond orbital. The author has an hindex of 8, co-authored 14 publications receiving 140 citations. Previous affiliations of Ping Li include Shandong University.
Papers
More filters
Journal ArticleDOI
Insights into the nature of the coupling interactions between uracil corrosion inhibitors and copper: A DFT and molecular dynamics study
TL;DR: In this paper, the nature of the coupling interactions between copper and uracil as well as its several derivatives has been systematically investigated employing the atoms in molecules (AIM) theory and energy decomposition analyses.
Journal ArticleDOI
Nitrogen removal from natural gas using solid boron: A first-principles computational study
TL;DR: In this article, the authors theoretically study the adsorption of N2 and CH4 on B12 cluster and solid boron surfaces α-B12 and γ-B28.
Journal ArticleDOI
The capture of ·H and ·OH radicals by vitamin C and implications for the new source for the formation of the anion free radical.
Ping Li,Ping Li,Zhitao Shen,Weihua Wang,Zhiying Ma,Siwei Bi,Haitao Sun,Yuxiang Bu,Yuxiang Bu +8 more
TL;DR: The binding characters and formation mechanisms of the stable reaction complex formed during the formation of AFR have been systematically investigated and the most favorable active site to be attacked by radical addition has been confirmed to be the C2 site of AAH(-.
Journal Article
Insights into the mechanism of the reaction between ttrachloro-p-bnzoquinone and hydrogen peroxide and their implications in the catalytic role of water molecules in producing the hydroxyl radial
TL;DR: The mechanism of the reaction between TCBQ and H2O2 has been systematically investigated at the B3LYP/6-311++G** level of theory in the presence of different numbers of water molecules and it is reported that the whole reaction can easily take place with the assistance of explicit water molecules.
Journal ArticleDOI
Theoretical studies on the electron capture properties of the H2SO4...HOO˙ complex and its implications as an alternative source of HOOH.
TL;DR: The electron capture process of the H(2)SO(4)...HOO˙ complex provides an alternative source of HOOH in the atmosphere and the nature of the coupling interactions in the electrons are clarified, and the most stable anionic complex is determined.