Chemistry Model Kit: VSEPR 3D更多来自此开发人员的 App Diabetes In Your Body 健康健美 Little Lives: Tobacco Effects
Use your smartphone and a Google Cardboard viewer to visualize the 3D shapes of molecules as predicted by the Valence Shell Electron Pair Repulsion (VSEPR) model. Click on the models to explore the 3D shapes and their corresponding 2D representations. This app was created to help you understand...
organic models, atom models, framework models, space filling models, solid-state models, diamond model, graphite model, biochemistry models, protein models, fullerene models, cyclohexane model, modeli
Ion exchange is a powerful method to access metastable materials for energy storage, but identifying lithium and sodium interchange in layered oxides remains challenging. Using such model materials, vacancy level and corresponding lithium preference are shown to be crucial for ion exchange pathway accessi...
A model to identify P-glycoprotein(P-gp) substrate was constructed with a random forest method based on open source software CDK(Chemistry Development Kit)... GL Ma,XP Zhao,YY Cheng - 《Chemical Journal of Chinese Universities》 被引量: 4发表: 2007年 The Chemistry Development Kit in 2024:...
The Skraup reaction affording quinoline was investigated computationally by the use of a model consisting of aniline, glycerol (HO-CH2-CH(OH)-CH2OH) and H3O+ (H2O)7. The direct aniline-glycerol linkage channel was calculated to be more favorable than the acrolein-containing channel in the course...
Microsoft.Quantum.Chemistry.DataModel.dll Package: Microsoft.Quantum.Chemistry.DataModel v0.28.302812 Default configuration constructor; C# publicConfig(); Applies to 產品版本 Microsoft Quantum Development KitLatest 在此文章 Definition Applies to
As means for model interpretability, in this section we aim to disentangle whether the learned scores exhibit a bias towards specific molecular motifs. In order to do so, we make use of the BRICS algorithm26, as implemented in the RDKit software, and compute all available leaf fragments and ...
JsonConverter Constructor Reference Definition Namespace: Microsoft.Quantum.Chemistry Assembly: Microsoft.Quantum.Chemistry.DataModel.dll Package: Microsoft.Quantum.Chemistry.DataModel v0.28.302812 C# 複製 public JsonConverter (); Applies to 產品版本 Microsoft Quantum Development Kit Latest ...
Assembly: Microsoft.Quantum.Chemistry.DataModel.dll Package: Microsoft.Quantum.Chemistry.DataModel v0.28.302812 Spin index up/down enumeration type.C# Копіювати [Newtonsoft.Json.JsonConverter(typeof(Newtonsoft.Json.Converters.StringEnumConverter))] public enum Spin...