Qing-Zhong Li

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In data integration, data conflict resolution is the crucial issue which is closely correlated with the quality of integrated data. Current research focuses on resolving data conflict on single attribute, which does not consider not only the conflict degree of different attributes but also the interrelationship of data conflict resolution on different(More)
The structure and properties (geometric, energetic, electronic, spectroscopic, and thermodynamic properties) of HArF-HOX (X = F, Cl, Br) complex have been investigated at the MP2/aug-cc-pVTZ level. Three types of complexes are formed through a hydrogen bond or a halogen bond. The HArF-HOX complex is the most stable, followed by the FArH-OHX complex, and the(More)
Quantum chemical calculations have been performed to study the complex of MCN-LiCN-XCCH (M = H, Li, and Na; X = Cl, Br, and I). The aim is to study the cooperative effect between halogen bond and lithium bond. The alkali metal has an enhancing effect on the lithium bond, making it increased by 77 and 94% for the Li and Na, respectively. There is the(More)
The HBO(+) and HOB(+) cations have been reinvestigated using the CASSCF and CASPT2 methods in conjunction with the contracted atomic natural orbital (ANO) basis sets. The geometries of all stationary points in the potential energy surfaces were optimized at the CASSCF/ANO and CASPT2/ANO levels. The ground and the first excited states of HBO(+) are predicted(More)
In this article, a new type of halogen-bonded complex YCCX...HMY (X = Cl, Br; M = Be, Mg; Y = H, F, CH(3)) has been predicted and characterized at the MP2/aug-cc-pVTZ level. We named it as halogen-hydride halogen bonding. In each YCCX...HMY complex, a halogen bond is formed between the positively charged X atom and the negatively charged H atom. This new(More)