Video Tutorials

Summary of Video Tutorials   |   视频教程总结

1. A Quick Introduction    |    镧系配合物构建软件快速介绍
2. Easy Start Guide    |    快速入门指南
3. Selecting a Set of Ligands to Build the Complex    |    选择配体组以构建配合物

   • Denticity Choice
   • Select Ligands one-by-one
     • By the Short Identifier
     • By the Molecular Formula
     • By the Name
     • By the Charge
     • By a Combination of Options
     • Viewing Ligand
     • How to Add a New Ligand to the Complex
     • Removing Ligands from the List of Selected Ligands
4. How to Add a New Ligand to the Database    |    如何向数据库添加新配体
5. The Complex Build Algorithm    |    用于构建镧系元素配合物的 Complex Build 算法

   • Ligand Degrees of Freedom
   • Hinge Angles
     • Orientation
     • Distance
     • Placement
     • Shape
   • Geometry Optimization
     • Minimizing
       • Coordination Warp
       • Steric Congestion
       • Crowding
     • Stopping Optimization
     • Reoptimizing Structure
   • Parameters for Geometry Optimization
     • Hinge Angles Only. Orientation, Distances, Placement, and Shape Choice are Conserved
     • Orientation and Distances Only. Placement and Shape Choice are Conserved
     • Orientation and Placement. Shape Choice is Conserved
     • Orientation and Placement. Shape Choice is Conserved. Global Minimum Search
       • Select a Shape
         • Ligand Placement Default
           • Select a Point Group
             • Select a Specific Permutation
         • Choosing the Ligands' Placements
           • Placing a Monodentate Ligand
           • Placing a Bidentate Ligand
           • Binding a Ligand
           • Autobinding Ligands
           • Reseting the Ligands' Placements
   • Orientation, Placement, and Shape
   • Orientation, Placement, and shape. Global minimum search
6. Thermally Distinguishable Polyhedral Shapes    |    热可分辨的多面体形状

   • Coordination Environments at Finite Temperature
     • Structural Disorder and Thermal Ellipsoids
     • Geometric Limits vs. Structural Fluctuations
   • Mathematical Foundations of Polyhedral Shapes
     • Steinitz's Theorem and 3-Connected Planar Graphs
     • Polyhedral Graphs for Coordination Numbers 6 and 7
     • Geometric Optimization under Crowding Potential
   • The TDPS Framework
     • Incorporation of Thermal Smearing
     • Thermally Indistinguishable vs. Distinguishable Geometries
   • Hexacoordination
     • The Five TDPS for Six-Coordinate Complexes
     • The Digonal Anticupola (DAC6)
       • Crystallographic Database Reclassification
       • Infrared Spectroscopy Evidence
   • Heptacoordination
     • The Fourteen TDPS for Seven-Coordinate Complexes
     • Emergence of Chiral Geometries