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  1. EzReson EzReson Public

    An efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of resonance by expansion of the wave function from a DFT/HF calc…

    Python 25 2

  2. GenInfi GenInfi Public

    Generating infinitenes, kekulenes and clarenes

    Python 3 1

  3. mbfo mbfo Public

    A program for Maximum Bonding Fragment Orbital (MBFO) analysis

    5

  4. GenCNB GenCNB Public

    Generate structures of carbon nanobelts

    MATLAB 2 1