Natural Bond Orbitals (NBO) in Organic Chemistry
- Examples
Sunday, August 30, 2015
Natural Dipole Analysis with IPython Notebook
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Understanding electrostatic interactions in molecules and molecular complexes provides the basis for interpretation of chemic...
Saturday, August 1, 2015
Web Visualization of NBOs Using jvxl File Format
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In the previous post , we discussed embedding the NBO imagery into a Web page using the Jmol -generated x3d file format. To fu...
Sunday, July 26, 2015
Web Visualization of NBOs in x3d Format
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In an earlier post , we discussed embedding the NBO imagery into a Web page using the J ava-JmolApplet as well as the recent J...
Saturday, November 29, 2014
Analyzing NBO Results with IPython Notebook
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Introduction Data processing, analysis, and visualization are routine tasks in sciences and humanities. The vast majorit...
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