Mobile Molecular Modeling -Mo3

Mo-cubed: Mobile Molecular Modeling

Mo-cubed is perhaps the most comprehensive mobile solution for chemical information to date! It can be used by teachers and students as an educational tool to chemistry courses at all levels as well by scientists to search for chemical information available at public databases or to compute physical/chemical properties of interests using quantum chemistry in the cloud.

Features:

1. Build Molecular Structure in 3D: A slick 3D molecular builder enables users to build/edit molecule similar to that of balls & sticks chemistry toolkits. Alternatively, users can draw molecules in 2D and then convert it into 3D for further editing or requesting tasks.

2. Search Chemical Information on public databases: Currently it enables users to search Pubchem database.

3. Predict IR, 1H-NMR, 13C-NMR, and Mass spectra.

4. Compute/Predict structure and chemical properties by quantum chemistry: Users can request search for a stable structure and compute its chemical properties using quantum chemistry method (currently it uses a semi-empirical molecular orbital method from the MOPAC2012 program).

5. Analyze chemical info in 3D: View Molecular orbitals, Electrostatic potential surface in 3D. Analyze structure and other calculated properties such as bond orders, atomic partial charge, atom valency.

6. Store data on your Android phone and/or share it to friends/collaborators.

You can also use the Screenmeet app to show how the app works to your students and friends by display your phone screen to your laptop which can be connected to a projector.

Download, Enjoy and Tell your friends about Mo-cubed.

莫立方：手机分子模拟

莫立方也许是化学信息最新最全面的移动解决方案！它可以由教师和学生在各级用来作为一种教育工具，以化学课程，以及由科学家寻找在公共数据库中的化学信息，或计算在云采用量子化学的兴趣物理/化学性质。

特征：

1.建立三维分子结构：一个漂亮的三维分子建设者使用户能够建立/类似的球和棍棒化学工具箱编辑分子。此外，用户还可以画出二维分子，然后将其转换成3D进行进一步的编辑或请求的任务。

2.搜索公共数据库化学信息：目前，它允许用户搜索PubChem数据库数据库。

3.预测红外光谱，1 H-NMR，13C-NMR和质谱。

4.计算/量子化学预测的结构和化学性质：用户可以请求搜索一稳定的结构，并使用量子化学方法计算其化学性质（目前它使用从MOPAC2012程序半经验分子轨道法）。

5.在分析化学3D信息：查看分子轨道，在三维静电势面。分析结构和其他计算性能，如键级，原子部分电荷，原子价。

6.你的Andr​​oid手机和/或分享给好友/合作者上存储数据。

您也可以使用Screenmeet应用显示应用程序如何显示您的手机屏幕笔记本电脑可连接到投影机的工作原理，以你的同学和朋友。

下载，欣赏并告诉你关于莫立方的朋友。