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For leading references, see: (a) Radom, L.; Bouma, W. J.; Nobes, R. H.; Yates, B. F. Pure Appl. Chem. 1984, 56, 1831. (b) Schwarz, H. Shitsuryo Bunseki 1984, 32, 3. (c) Hammerum, S. Mass Spectrom. Rev. 1988, 7, 23. (d) Stirk, K. M.; Kiminkinen, L. K. M.; Kenttämaa, H. I. Chem. Rev. 1992, 92, 1649.
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Yates, B.F.4
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0000276110
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For leading references, see: (a) Radom, L.; Bouma, W. J.; Nobes, R. H.; Yates, B. F. Pure Appl. Chem. 1984, 56, 1831. (b) Schwarz, H. Shitsuryo Bunseki 1984, 32, 3. (c) Hammerum, S. Mass Spectrom. Rev. 1988, 7, 23. (d) Stirk, K. M.; Kiminkinen, L. K. M.; Kenttämaa, H. I. Chem. Rev. 1992, 92, 1649.
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Shitsuryo Bunseki
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Schwarz, H.1
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11
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0000276110
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For leading references, see: (a) Radom, L.; Bouma, W. J.; Nobes, R. H.; Yates, B. F. Pure Appl. Chem. 1984, 56, 1831. (b) Schwarz, H. Shitsuryo Bunseki 1984, 32, 3. (c) Hammerum, S. Mass Spectrom. Rev. 1988, 7, 23. (d) Stirk, K. M.; Kiminkinen, L. K. M.; Kenttämaa, H. I. Chem. Rev. 1992, 92, 1649.
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Mass Spectrom. Rev.
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Hammerum, S.1
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0001766175
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For leading references, see: (a) Radom, L.; Bouma, W. J.; Nobes, R. H.; Yates, B. F. Pure Appl. Chem. 1984, 56, 1831. (b) Schwarz, H. Shitsuryo Bunseki 1984, 32, 3. (c) Hammerum, S. Mass Spectrom. Rev. 1988, 7, 23. (d) Stirk, K. M.; Kiminkinen, L. K. M.; Kenttämaa, H. I. Chem. Rev. 1992, 92, 1649.
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Stirk, K.M.1
Kiminkinen, L.K.M.2
Kenttämaa, H.I.3
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(a) Mourges, P.; Audier, H. E.; Leblanc, D.; Hammerum, S. Org. Mass Spectrom. 1993, 28. 1098.
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(b) Audier, H. E.; Leblanc, D.; Mourges, P.; McMahon, T. B.; Hammerum, S. J. Chem. Soc., Chem. Commun. 1994, 2329.
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Audier, H.E.1
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17
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0041401966
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Curtiss, L. A.; Raghavachari, K.; Trucks, G. W.; Pople, J. A. J. Chem. Phys. 1991, 94, 7221.
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Pople, J.A.4
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18
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8944257552
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note
-
We have used QCISD/6-31G(d,p) optimized geometries (rather than the standard G2 MP2/6-31G(d) geometries) and scaled MP2/6-311G(d,p) vibrational frequencies (rather than the standard G2 HF/6-31G(d) frequencies) in the present work. The scale factor is 0.9496: Scott, A. P.; Radom, L. To be published. Similar results are obtained if the G2 calculations are based on MP2/6-31G(d,p) optimized geometries.
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19
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0004133516
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Gaussian Inc.: Pittsburgh, PA
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(a) Frisch, 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.; Pople, J. A. GAUSSIAN 92, Gaussian Inc.: Pittsburgh, PA, 1992.
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GAUSSIAN 92
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Frisch, M.J.1
Trucks, G.W.2
Head-Gordon, M.3
Gill, P.M.W.4
Wong, M.W.5
Foresman, J.B.6
Johnson, B.G.7
Schlegel, H.B.8
Robb, M.A.9
Replogle, E.S.10
Gomperts, R.11
Andres, J.L.12
Raghavachari, K.13
Binkley, J.S.14
Gonzalez, C.15
Martin, R.L.16
Fox, D.J.17
DeFrees, D.J.18
Baker, J.19
Stewart, J.J.P.20
Pople, J.A.21
more..
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20
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0004133516
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Gaussian Inc., Pittsburgh, PA
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(b) Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T. A.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J, B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; DeFrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. GAUSSIAN 94, Gaussian Inc., Pittsburgh, PA, 1995.
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(1995)
GAUSSIAN 94
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Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.A.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
DeFrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
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21
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0000049957
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(a) Holmes, J. L.; Lossing, F. P.; Terlouw, J. K.; Burgers, P. C. Can. J. Chem. 1983, 61, 2305.
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Can. J. Chem.
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Holmes, J.L.1
Lossing, F.P.2
Terlouw, J.K.3
Burgers, P.C.4
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22
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8944238899
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(b) Lias, S. G.; Bartmess, J. E.; Liebman, J. F.; Holmes, J. L.; Levin, R. D.; Mallard. W. G. J. Phys. Chem. Ref. Data, Suppl. 1988, 17.
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Lias, S.G.1
Bartmess, J.E.2
Liebman, J.F.3
Holmes, J.L.4
Levin, R.D.5
Mallard, W.G.6
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24
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8944248692
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To be published
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Detailed results will be presented elsewhere: Gauld, J. W.; Radom, L. To be published.
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Gauld, J.W.1
Radom, L.2
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