Published on: 2020-04-02 23:14:13
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Natural Bond Orbital is a specialized software for dealing with chemical concepts and complex wave functions. The new version of the program is designed to work with natural algorithms by solving the Schrödinger equation for the electron wave function, examining the chemical patterns and electron trading. Since NBOs have a close relationship with Lewis\’s structure and properties, this software provides a direct link between NBOs and concepts such as valence and bonding. With Natural Bond Orbital you can easily transfer molecular environmental conditions from one system to another without any problems.
NBOs were actually predicted by Pauli to understand the concepts of orbital bonding. Unlike the classical concepts that deal with the atomic orbit system and work with the equations in which the derivatives of the electric charge appear, this software uses beautiful quantum phase concepts and … that more precise answers to our experience. It works. This software is a comprehensive and compatible program with a variety of conditions that can be used for advanced analysis. With the advanced algorithms in this program, you can save a lot of time and time. Natural Bond Orbital works perfectly in electrical structures in the form of a single piece of fabric.
Available with the software.
Software to run requires the Intel MKL or Intel Math Kernel Library, which is included in the Intel Parallel Studio XE package.
Download Natural Bond Orbital NBO_6.0 Windows Linux macOS
57 MB
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