Title: | a_4 |

Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/13773 |

Program: | Gaussian 09 EM64L-G09RevD.01 |

Author: | Fernández, Víctor |

Formula: | C 22 H 24 Fe 1 N 5 O 2 |

Calculation type: | Geometry optimization Minimum |

Method(s): | UB3LYP - Grimme-D3(BJ) |

Charge / Multiplicity: | 2 4 |

Model: | PCM (using non-symmetric T matrix) |

Atomic radii | SMD-Coulomb. |

Solvent | Acetonitrile |

Eps= 35.688000 | |

Eps(inf)= 1.806874 |