遇见数据集

Models 360 dataset

收藏
DataCite Commons2025-06-01 更新2024-07-25 收录
官方服务:

资源简介:

This the molecular dataset in JSON format of the Models360 web resource (http://www.chemeddl.org/resources/models360). Models 360 enables users to investigate a collection of 3-D interactive models of organic and inorganic compounds, including extended-structure solids. Users can manipulate the models to examine structure and bonding and demonstrate molecular geometries, vibrations, symmetry, and orbitals. This resource has been built specifically to meet the needs of educators. The molecules and structures shown have been vetted as to their usefulness in teaching, and their accuracy. The structure of each molecule has been calculated using modern quantum mechanical software in order to obtain high-accuracy properties to be used in classrooms. Models 360 was initiated by Xavier Prat-Resina during his period as a postdoctoral fellow with the Chemical Education Digital Library. Major contributions to the project were made by David Pieper, Justin Shorb, Robert Anglin, Brandon Korf, Greg Sovinski, Zak Kastelik, Rachel Bain, Angela Jones, Ieva Reich, Adam Hahn, and John W. Moore, all working for the Chemical Education Digital Library (ChemEd DL).

本数据集为Models360网络资源(http://www.chemeddl.org/resources/models360)的JSON格式分子数据集。Models360可支持用户探索有机与无机化合物(含扩展结构固体)的三维交互式模型库。用户可对模型进行操作,以观测其结构与成键特征,并演示分子几何构型、分子振动、对称性及分子轨道。本资源专为适配教育工作者的教学需求而打造。所展示的分子与结构均经过严格审核,确保其教学实用性与准确性。每个分子的结构均通过现代量子力学软件计算得到,以获取高精度属性以供课堂教学使用。Models360由泽维尔·普拉特-雷西纳(Xavier Prat-Resina)在其于化学教育数字图书馆(Chemical Education Digital Library)担任博士后研究员期间发起。该项目的主要贡献者均就职于化学教育数字图书馆(ChemEd DL),包括戴维·派珀(David Pieper)、贾斯汀·绍布(Justin Shorb)、罗伯特·安格林(Robert Anglin)、布兰登·科夫(Brandon Korf)、格雷格·索文斯基(Greg Sovinski)、扎克·卡斯特利克(Zak Kastelik)、雷切尔·贝恩(Rachel Bain)、安吉拉·琼斯(Angela Jones)、耶娃·赖希(Ieva Reich)、亚当·哈恩(Adam Hahn)以及约翰·W·穆尔(John W. Moore)。

提供机构:
figshare
创建时间:
2016-01-19
搜集汇总
数据集介绍
Models 360 dataset 数据集图片
以上内容由遇见数据集搜集并总结生成
二维码
社区交流群
二维码
科研交流群
商业服务