Subject: HFS in the presence of isotopes and magnetic field B

From: "Temporary Guest Account;CNLS;7-1444;9999999" <[email-masked]>
Date: Thu, 19 Dec 2002 07:55:39 -0700 (MST)

Dear Netters,

I have two questions:

1) How to calculate with Gaussian 98 Fermi Contact Coupling of radical 
molecules with N(15 isotope) adding Spin of N(15) nuclei equal to 1/2
and Magnetogyric ratio (rad/T s) equal to -2.712 x 10^7 (and maybe 
changing the constant 8*pi/3 by 4*pi/3 due to different N(15) nucleus 
spin=1/2 comprarison with N(14) nucleus spin=1).
Does it exist some special keyword or something like that allowing in
G98 to calculate Fermi Contact Coupling with less popular atoms isotopes?
If no, maybe somebody can give me some software for calculations of 
Fermi Contact Couplings with different atom isotopes?

2) I am asking also for software that might to calculate HFS 
interactions of radicals possessing different isotopes in the presence of 
magnetic field. I agree to include owners of these software in the list of 
authors for sharing the programes and for help in the begining of 
calculations.

Thanking your in advance.
With bst regards, Arvydas Tamulis 

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                  Arvydas Tamulis

Doctor of Natural Sciences, senior research fellow

Temporal address until 28 February 2003:
Los Alamos National Laboratory
Center for Nonlinear Studies
P.O. Box 1663, Mail Stop B258
Los Alamos, New Mexico 87545
Work Phone: (505) 667-7278
Fax: (505) 665-2659
e-mail: [email-masked]
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