CCL: repulsive electronic interactions
- From: "Silvina Pellegrinet" <pellegrinet _
iquir-conicet.gov.ar>
- Subject: CCL: repulsive electronic interactions
- Date: Thu, 28 Jan 2010 14:26:56 -0500
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