NBO Analysis Section

Using Jmol/JSmol and Learning about NBOs

This page is a layout for the NBO imagery and description. The topic will be Visualization of NBOs on web sites using x3d format.

The accompanying Blog post was published on July 26, 2015: in this post, visualization capabilities of Jmol are utilized for generating the orbital imagery that uses open-source x3d format. X3D standard is XML-based and supports visualization of 3D computer graphics.

The required x3d files are generated using the Jmol-NBO Visualization Helper. Jmol macro files allow loading and visualization of NBO archive files (.31-.46). A script is generated that writes the NBO surfaces into the corresponding x3d files. Those are then loaded into the web interface.

All files necessary to build this website are available from the Download section of the Blog.

More of handy apps and scripts are available at:
http://nbo.marcelpatek.com/

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Computational Scientists Strive to Visualize Structures of Molecules

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The Digital Visualization of Molecules and Orbitals Using Jmol/JSmol

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NBO Layout example

Images generated by Jmol. Your text goes here.

NBO Gallery

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NBO here

NBO4	NBO5	NBO6
NBO10	NBO11	NBO12

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