陈三平.Fine-Tuning of the Coordination Environment To Regulate the Magnetic Behavior in Solvent/Anion-Dependent Dy-III Compounds: Synthesis, Structure, Magnetism, and Ab Initio CalculationsINORGANIC CHEMISTRY,2016,卷: 55 期: 20 页: 10587-10596

Jianli Li.Probing the potential of halogen-free superhalogen anions as effective electrolytes of Li-ion batteries: a theoretical prospect from combined ab initio and DFT studiesPHYSICAL CHEMISTRY CHEMICAL PHYSICS,2016,卷: 18 期: 41 页: 28576-28584

尹兵.The Combination of Superhalogens and Bronsted Acids HX (X = F, CI, Br): An Effective Strategy for Designing Strong SuperacidsINORGANIC CHEMISTRY,2017,卷: 56 期: 19 页: 11787-11797

于乐(20164939).Could the increased structural versatility imposed by non-halogen ligands bring something new for polynuclear superhalogens? A case study on binuclear [Mg2L5](-) (L = -OH, -OOH and - OF) anionsPHYSICAL CHEMISTRY CHEMICAL PHYSICS,2017,卷: 19 期: 39 页: 26986-26995

尹兵.Are trinuclear superhalogens promising candidates for building blocks of novel magnetic materials? A theoretical prospect from combined broken-symmetry density functional theory and ab initio studyJOURNAL OF CHEMICAL PHYSICS,2013,卷: 139 期: 5

尹兵.Are polynuclear superhalogens without halogen atoms probable? A high-level ab initio case study on triple-bridged binuclear anions with cyanide ligandsJOURNAL OF CHEMICAL PHYSICS,2014,卷: 140 期: 9

尹兵.Mixed Ligand (CuN2O2)-N-II Complexes: Biomimetic Synthesis, Activities in Vitro and Biological Models, Theoretical CalculationsINORGANIC CHEMISTRY,2014,卷: 53 期: 24 页: 13019-13030

Jianli Li.Is the regulation of the electronic properties of organic molecules by polynuclear superhalogens more effective than that by mononuclear superhalogens? A high-level ab initio case studyPHYSICAL CHEMISTRY CHEMICAL PHYSICS,2015,卷: 17 期: 31 页: 20338-20346

吴少平.Exploration of congeneric Hg(II)-mediated chemosensors driven by S-Hg affinity, and their application in living systemSENSORS AND ACTUATORS B-CHEMICAL,2017,卷: 247 页: 129-138

柯红山.Ligand field fine-tuning on the modulation of the magnetic properties and relaxation dynamics of dysprosium(iii) single-ion magnets (SIMs): synthesis, structure, magnetism and ab initio calculationsJ. Mater. Chem. C,2017,v 5,n 6,p1369-1382