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Lewars, E.1
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(b) G. Vacek, J.M. Galbraith, Y. Yamaguchi, H.F. Schaefer, R.H. Nobes, A.P. Scott and L. Radom, J. Phys. Chem., 98 (1994) 8660 and references therein.
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Vacek, G.1
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and references therein
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(c) J.E. Fowler, J.M. Galbraith, G. Vacek and H.F. Schaefer, J. Am. Chem. Soc., 116 (1994) 9311 and references therein.
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(d) A.P. Scott, R.H. Nobes, H.F. Schaefer and L. Radom, J. Am. Chem. Soc., 116 (1994) 10159 and references therein.
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0000954733
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The only oxirenes that have been observed (from diazoketone photolysis in a cryogenic matrix) are: (a) Perfluorodimethyloxirene and perfluoroethylmethyloxirene: M. Torres, J.L. Bourdelande, A. Clement and O.P. Strausz, J. Am. Chem. Soc., 105 (1983) 1698.
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Torres, M.1
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Strausz, O.P.4
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6
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0001249584
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For a case of mistaken identity (naphthooxirenes) see Refs. [28] and [29]
-
(b) Dimethyloxirene: C. Bachmann, T.Y. N'Guessan, F. Debû, M. Monnier, J. Pourcin, J.-P. Aycard and H. Bodot, J. Am. Chem. Soc., 112 (1990) 7488. For a case of mistaken identity (naphthooxirenes) see Refs. [28] and [29].
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Bachmann, C.1
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Bodot, H.7
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7
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30244488816
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Ref. [1c] unpublished work
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Ref. [1c] and E. Lewars, unpublished work, 1994.
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(1994)
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Lewars, E.1
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8
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30244537566
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level study of benzooxirene has been briefly reported: Ref. [1c]. Benzooxirene and its carbene and transition state were investigated semiempirically (MNDOC-BWEN): Ref. [2b]
-
A. Hartree-Fock level study of benzooxirene has been briefly reported: Ref. [1c]. Benzooxirene and its carbene and transition state were investigated semiempirically (MNDOC-BWEN): Ref. [2b].
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Hartree-Fock, A.1
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9
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30244505643
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A semiempirical (MNDOC-BWEN) study of oxirene, dimethyloxirene, di-t-butyloxirene, cyclohexenooxirene, and benxooxirene augments the experimental work in Ref. [2b]
-
A semiempirical (MNDOC-BWEN) study of oxirene, dimethyloxirene, di-t-butyloxirene, cyclohexenooxirene, and benxooxirene augments the experimental work in Ref. [2b].
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10
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Ab Initio Molecular Orbital Theory
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HF level correction: J.B. Foresman and A. Frisch, Exploring Chemistry with Electronic Structure Methods, Gaussian Inc, Pittsburgh, PA, 1993, p. 78. level correction: A.I. Boldyrev and P.v. R. Schleyer, J. Comput. Chem., 9 (1992) 1066.
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Foresman, J.B.1
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HF level correction: J.B. Foresman and A. Frisch, Exploring Chemistry with Electronic Structure Methods, Gaussian Inc, Pittsburgh, PA, 1993, p. 78. level correction: A.I. Boldyrev and P.v. R. Schleyer, J. Comput. Chem., 9 (1992) 1066.
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unpublished work. For these species the use of MP2(FULL) vs. MP2(FC) with the 6-3IG* basis has very little influence on frequencies, geometries, and energies
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E. Lewars, unpublished work. For these species the use of MP2(FULL) vs. MP2(FC) with the 6-3IG* basis has very little influence on frequencies, geometries, and energies, 1994.
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