CCL: repulsive electronic interactions



 Sent to CCL by: "Silvina  Pellegrinet"
 [pellegrinet**iquir-conicet.gov.ar]
 Hi everyone
 I believe some structures I am studying have repulsive interactions between the
 lone pairs of two proximal oxygens. I have checked that there is a close contact
 between this two atoms (d 2.7 A) but I would like to analyse the electronic
 interactions between them in more detail. Does anyone know how to quantify a
 repulsive electronic interaction? Thanks!
 Regards,
 Silvina