Chemical Bonds Overlap Properties and Dissociation Pattern in CH5+

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  • Presentation type: Exposição de Pôster
  • Track: Química Teórica - TEO
  • Keywords: Overlap Properties; QTAIM; Localized Molecular Orbitals;

Authors:

  • 1 Universidade Federal da Paraíba – Campus Areia

Chemical Bonds Overlap Properties and Dissociation Pattern in CH5+

Francielle Carolinne Machado Santos

Universidade Federal da Paraíba – Campus Areia

Abstract

Overlap properties calculated for CH5+ corroborate the pattern CH3 ⋯ H2+  CH3+ ⋯ H2 upon dissociation, also indicated by valence bond calculations. QTAIM do not follow this same trend.

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