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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 82, 1994 - Issue 4
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Research Note

An ab initio calculation of the energetics for the FO+HCI→HOF+Cl reaction

Pages 831-833 | Received 02 Dec 1993, Accepted 10 Jan 1994, Published online: 23 Aug 2006

References

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  • Risch , M.J. , Trucks , G.W. , Head-Gordon , M. , Gill , P.M.W. , Wong , M.W. , Foresman , J.B. , Johnson , B.G. , Schlegel , H.B. , Robb , M.A. , Replogle , E.S. , Gomperts , R. , Andres , J.L. , Raghavachari , K. , Binkley , J.S. , Gonzalez , C. , Martin , R.L. , Fox , D.J. , DeFrees , D.J. , Baker , J. , Stewart , J.J.P. and Pople , J.A. 1992 . GAUSSIAN 92 Revision A , Pittsburgh : Gaussian, Inc. .
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  • Zahniser , M.S. , Kaufmun , F. and Anderson , J.G. 1974 . Chem. Phys. Letts. , 27 : 507 – 507 .
  • Molina , M.J. , Molina , L.T. and Smith , C.A. 1984 . Int. J. Chem. Kinetics , 16 : 1151 – 1151 .
  • Keyser , L.F. 1984 . J. phys. Chem. , 88 : 4750 – 4750 .
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  • Harmonic frequencie (cm−1) calculated at the UMP2/6-311G(d,p) level for (FO+HCl)‡ are 1651, 1131, 896, 330, 173, and 2757i .

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