Subject: Parameters for NO2 groups

From: "Jon.Essex-Chemistry" <[email-masked]>
Date: Sun, 16 Jul 95 11:43:25 BST

Hi,

   I'm doing some Monte Carlo calculations on nitro containing compounds.
I need some parameters for the nitro group. Can any help me here, OPLS
parameters would be best.

Or does any one have any references for MD or MC calculations on nitro
compounds.

Many thanks
Jon

[email-masked]