Subject: Effect of pH

From: "Edward Griffiths" <[email-masked]>
Date: Thu, 6 Dec 2001 10:47:16 +0000 (GMT Standard Time)

Dear CCLs,

Does anyone know how I could include the effects of pH into a quantum chemistry
calculation?
Are there any models to include it?

Thank you in advance for any replies.

Regards,

Edward

Dr Edward Griffiths, Research Scientist,
Molecular Modelling and Statistics Unit,
Unilever Research Port Sunlight Laboratories,
Quarry Road East, Bebington, CH63 3JW
e-mail: [email-masked]
Tel: +44 (0)151 641 1416
Fax: +44 (0)151 641 1826