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Re^3: freezing bond length in IRC job

Alex Granovsky
gran@classic.chem.msu.su

Anybody interested in the IRC transformation properties,
can look into e.g.:

"An Internal Coordinate Invariant Reaction Pathway"
Michel Sana, Georges Reckinger and Georges Leroy
Theoret. Chim. Acta (Berl.) 58, 145-153 (1981)

regards,
Alex Granovsky

[ This message was edited on Fri Jul 16 '10 at 12:31pm by the author ]

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