Example PyOrbb Analyses
=======================

PyOrbb is applicable to a large variety of chemical systems, ranging from simple donor-acceptor complexes to hydrogen bonding to oxidative addition reactions with transition metal catalysts. These examples have been described in detail in the PyOrbb paper\ [1]_. We have collected these examples below for you to try out on your own. Click any of the example systems to get started!

.. grid:: 3
    :gutter: 4

    .. grid-item-card:: Getting Started: H\ :sub:`3`\ B←NH\ :sub:`3` Lewis Adduct
      :link: ../get_started.html

      .. image:: figures/NH3BH3/thumb.png
         :width: 75%
         :align: center


    .. grid-item-card:: Oxidative Addition: C-H Bond Activation by Fe(CO)\ :sub:`4`
      :link: Oxidative_addition.html

      .. image:: figures/oxadd/thumb.png
         :width: 50%
         :align: center


    .. grid-item-card:: Diels-Alder Transition State
      :link: DielsAlder.html

      .. image:: figures/DA_TS/thumb.png
         :width: 50%
         :align: center


    .. grid-item-card:: Lewis-Acid Catalysis: Diels-Alder
      :link: DA_LA.html

      .. image:: figures/DA_TS_LA/thumb.png
         :width: 75%
         :align: center


    .. grid-item-card:: Hydrogen-Bonding: Guanine–Cytosine Base Pair
      :link: GC_basepair.html

      .. image:: figures/HB/thumb.png
         :width: 75%
         :align: center


    .. grid-item-card:: Hetero-/Homolytic Bond Cleavage: Fluoromethane
      :link: Hetero_vs_homo.html

      .. image:: figures/FCH3/thumb.png
         :width: 75%
         :align: center


    .. grid-item-card:: Homolytic Bond Cleavage: Ethane
      :link: Homolytic_Ethane.html

      .. image:: figures/Ethane/thumb.png
         :width: 75%
         :align: center



    .. grid-item-card:: The Methyl Radical
      :link: Methyl_rad.html

      .. image:: figures/Methyl/thumb.png
         :width: 50%
         :align: center



.. toctree::
   :maxdepth: 2
   :hidden:

   ../get_started.rst
   Oxidative_addition.rst
   DielsAlder.rst
   DA_LA.rst
   GC_basepair.rst
   Hetero_vs_homo.rst
   Homolytic_Ethane.rst
   Methyl_rad.rst



References
----------

.. [1] |main art|