From:	"p smith" <p.smith' at \`student.umist.ac.uk>
Date:	Thu, 27 Feb 2003 17:10:37 -0800
Subject:	infra-red stretching frequencies

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Hi,
     What is the cheapest method of producing reliable IR stretching
frequencies computationally i.e. which represents the best compromise
between cost and accuracy. I know these calculations can be performed
semi-empirically but I am not sure how accurate the results are.
Cheers,
            Paul
p.smith ^at^ student.umist.ac.uk

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http://www.w3.org/TR/REC-html40">















Hi,

     What is the cheapest method of =
producing
reliable IR stretching frequencies computationally i.e. which represents =
the
best compromise between cost and accuracy. I know these calculations can =
be
performed semi-empirically but I am not sure how accurate the results =
are.

Cheers,

           
Paul

p.smith # - at - #
student.umist.ac.uk







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