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Development of smart output parsers for quantum chemistry calculations involving transition metal complexes using python.

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NBO

The main parser that is packaged in the lib folder. It will provide you interactive parsers for nbo calculation log files that come from Gaussian 16 using Density Function Thoery. It can be easily intergrated in your code for easy access important feature such as NBO, NAO, CMO, etc.

PM7

A seperate parser project that is in pm7 folder. It has parser developed specifically for retrieving NBO features from output log files that come from Gaussian 16 using PM7 Semiempirical Method.

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Development of smart output parsers for quantum chemistry calculations involving transition metal complexes using python.

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