Tags: semi-empirical methods

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Tools (1-2 of 2)

  1. Northwestern University Initiative for Teaching Nanoscience

    0.0 out of 5 stars 

    20 Aug 2008 | Tools | Contributor(s): Baudilio Tejerina

    This package allows users to study and analyze of molecular properties using various electronic structure methods.

    http://nanohub.org/resources/nuitns

  2. CNDO/INDO

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    29 Feb 2008 | Tools | Contributor(s): Baudilio Tejerina, Jeff Reimers

    Semi-empirical Molecular Orbital calculations.

    http://nanohub.org/resources/CNDO