结构化学
- Synthesis and Properties of Dinuclear Europium(III)Complex Containing 2-Benzoylbenzoic Acid①
- Discovery of 4-Thiazol-N-(pyridin-2-yl)pyrimidin-2-amine as Novel Cyclin-dependent Kinases 4 and 6 Dual Inhibitors via 3D-QSAR and Molecular Simulation①
- Synthesis of Axially Coordinated Cobalt Porphyrin/graphene Oxide Nanocomposite for Enhanced Electrocatalytic CO2 Reduction to CO①
- Synthesis, Crystal Structure, Spectroscopy and Hirshfeld Analysis of 4,6-Diamino-2-cyclopropylaminopyrimidine-5-carbonitrile with Different Solvents: N,N-dimethylformamide, Methanol and Water①
- Anion-templated Self-assembly for the Preparation of Silver-t-butylthiolate Clusters①
- MOF-Conductive Polymer Composite Film as Electrocatalyst for Oxygen Reduction in Acidic Media①
- Structural and Electronic Properties of Lutetium Doped Germanium Clusters LuGen(+/0/-) (n = 6~19):A Density Functional Theory Investigation①
- A Robust Heterometallic Cd(II)/Ba(II)-Organic Framework with Exposed Amino Group and Active Sites Exhibiting Excellent CO2/CH4 and C2H2/CH4 Separation①
- A Double Crown Hexakis[(Di-µ-benzylthio) Nickel]Cluster: Synthesis, Structure and Properties①
- Discovery of Benzimidazole Derivatives as Novel Aldosterone Synthase Inhibitors: QSAR, Docking Studies, and Molecular Dynamics Simulation①
- High-humidity Sensor of a New Trinuclear Ti3-Oxo Cluster①
- QSAR Models for Predicting Additive and Synergistic Toxicities of Binary Pesticide Mixtures on Scenedesmus Obliquus①
- Theoretical Measurements of Quantitative Effects Caused by Spectator Ligands on Palladium-catalyzed C-H Activation①
- Improvement of the Selectivity for Hydrogen Peroxide Production via the Synergy of TiO2 and Graphene①
- Synthesis, Crystal Structure and Fe3+ Recognition of a Fluorescent Probe Based on Quinazolinone Derivative
- Mechanism Study of Aliskiren and Its Analogues by Molecular Dynamic Simulation①
- Synthesis, Structure and Properties of an Iron Complex with Formally Zero Oxidation State①
- Preparation, Crystal Structure and Fungicidal Activity of N-(5-(benzofuranol-7-oxymethyl)-1,3,4-thiadiazol-2-yl)amide Compounds①
- Functionalized Metal-organic Frameworks for White Light Emission and Highly Sensitive Sensing of PA and Fe3+/Al3+①
- Controllable Synthesis, Polar Behavior and Photoelectric Properties of BiOCl Microplates①
- Antibiotic Silver Particles Coated Graphene Oxide/polyurethane Nanocomposites Foams and Its Mechanical Properties①
- Syntheses, Crystal Structures and Property of Pyridine Zinc(II) Complexes Based on Halogenated Salicylaldehyde Schiff Base①
- Planar Tetracoordinate Carbon in 6σ + 2π Double Aromatic CBe42- Derivatives①
- Synthesis, Crystal Structure and Anti-fungal/Anti-oomycete Activity of New Pyrazole-benzene Carboxamide Derivatives①
- Construction of the Molecular Structure Model of the Zhaotong Lignite Using Simulation and Experiment Data①
- Homology Modeling, Molecular Docking, and Molecular Dynamic Simulation of the Binding Mode of PA-1 and Botrytis cinerea PDHc-E1①
- Two Polynuclear Fe Complexes with Boat-like Core:Syntheses, Structures and Magnetic Properties①
- Syntheses, Crystal Structures and DNA-Binding Properties of Zn(II) and Mn(II) Complexes Based on Imidazole Derivatives and Carboxylic Acid
- Manganese(II) and Copper(I) Compounds Based on Two Derivatives of Imidazo[1,5-a]pyridine: Synthesis,Structures, Magnetic Properties, and Catalytic Activity①
- A Novel Salicylaldehyde Schiff-base Fluorescent Probe for Selective Detection of Cu2+ Ion①
- Synthesis and Crystal Structure of a Copper(II) Complex with Funnel-like Ligand Based on Calix[6]arene①
- CoMFA Study on Anti-proliferative Activity of Fluoroquinolone Amide Derivatives①
- Synthesis, Crystal Structure and Fluorescent Properties of a 1D Europium Coordination Polymer with 2,5-Furandicarboxylic Acid①
- Synthesis of Highly Luminescent LnMOFs through Structural Regulation①