CCL: Problems on NICS calculation Using Gaussian
- From: "manish kumar upadhyay"
<manish.d912%hotmail.com>
- Subject: CCL: Problems on NICS calculation Using Gaussian
- Date: Mon, 30 Jul 2012 05:32:47 -0400
Sent to CCL by: "manish kumar upadhyay" [manish.d912*|*hotmail.com]
Sir,I wanted to know the stepwise procedure to calculate the nuclear independent
chemical shieft values at any given point of space in a molecule using a ghost
atom (Bq),as were praposed by Schleyer. Kindly tell me the all steps involed the
processes starting from submittin a job and analysing its output.