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Calculation of Isotope Effect 

 
ISOEFF98
The program is available free of charge from Prof. Piotr Paneth
E-mail: paneth at p.lodz.pl
Brief Theory
 
Article:

ISOEFF98. A program for studies of isotope effects using Hessian modifications, J. Math. Chem., 1999, 26 (1-3) 75-86