# Halogen bond in (CH3)(n)X (X = N, P, n = 3; X = S, n = 2) and (CH3)(n)XO (X = N, P, n = 3; X = S, n = 2) adducts with CF3I. Structural and energy analysis including relativistic zero-order regular approximation approach in a density functional theory fram

Title | Halogen bond in (CH3)(n)X (X = N, P, n = 3; X = S, n = 2) and (CH3)(n)XO (X = N, P, n = 3; X = S, n = 2) adducts with CF3I. Structural and energy analysis including relativistic zero-order regular approximation approach in a density functional theory fram |

Publication Type | Journal Article |

Year of Publication | 2002 |

Romaniello, P, Lelj, F | |

Journal | JOURNAL OF PHYSICAL CHEMISTRY A |

Volume | 106 |

Issue | 39 |

Pagination | 9114-9119 |

Date Published | OCT 3 |

Keywords | paper |

Abstract | {Density functional theory (DFT) calculations on the geometry and bonding energy of the X- - -1 intermolecular interaction of CF3I and (CH3)(n)X (X = N, P |

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