-
3
-
-
24944569123
-
-
[3] K. Andersson, P. Borowski, P.W. Fowler, P.-Å. Malmqvist, B.O. Roos, A.J. Sadlej, Chem. Phys. Lett. 190 (1992) 367.
-
(1992)
Chem. Phys. Lett.
, vol.190
, pp. 367
-
-
Andersson, K.1
Borowski, P.2
Fowler, P.W.3
Malmqvist, P.-A.4
Roos, B.O.5
Sadlej, A.J.6
-
5
-
-
0029639166
-
-
[5] G.E. Davico, V.M. Bierbaum, C.H. DePuy, G.B. Ellison, R.R. Squires, J. Am. Chem. Soc. 117 (1995) 2590.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 2590
-
-
Davico, G.E.1
Bierbaum, V.M.2
DePuy, C.H.3
Ellison, G.B.4
Squires, R.R.5
-
7
-
-
0003780688
-
-
Chapman and Hall, New York
-
[7] J.G. Pedley, R.D. Naylor, S.P. Kirby, Thermochemistry of Organic Compounds, 2nd ed., Chapman and Hall, New York, 1986.
-
(1986)
Thermochemistry of Organic Compounds, 2nd Ed.
-
-
Pedley, J.G.1
Naylor, R.D.2
Kirby, S.P.3
-
8
-
-
0003878179
-
-
Hemisphere, New York, Parts 1&2
-
[8] L.V. Gurvich, I.V. Veyts, C.B. Alcock, Thermodynamic Properties of Individual Substances, 4th ed., Hemisphere, New York, 1989, vol. 1; 1991, vol. 2, Parts 1&2.
-
(1989)
Thermodynamic Properties of Individual Substances, 4th Ed.
, vol.1-2
-
-
Gurvich, L.V.1
Veyts, I.V.2
Alcock, C.B.3
-
9
-
-
11944255193
-
-
[9] J.A. Blush, H. Clauberg, D.W. Kohn, D.W. Minsek, X. Zhang, P. Chen, Acc. Chem. Res. 25 (1992) 385.
-
(1992)
Acc. Chem. Res.
, vol.25
, pp. 385
-
-
Blush, J.A.1
Clauberg, H.2
Kohn, D.W.3
Minsek, D.W.4
Zhang, X.5
Chen, P.6
-
15
-
-
0001247645
-
-
Experimental vibrational frequencies: benzene
-
[15] Experimental vibrational frequencies: benzene: M. Dang-Nhu, J. Pliva, J. Mol. Spectrosc. 138 (1989) 423; phenyl radical: J.G. Radziszewski, M.R. Nimlos, P.R. Winter, G.B. Ellison, J. Am. Chem. Soc. 118 (1996) 7400; o-benzyne: J.G. Radziszewski, B.A. Hess Jr., R. Zahradnik, J. Am. Chem. Soc. 112 (1992) 52; ethylene and acetylene: T. Shimanouchi, Tables of Molecular Vibrational Frequencies, Consolidated Volume 1, NSRDS-NBS (1972) 39.
-
(1989)
J. Mol. Spectrosc.
, vol.138
, pp. 423
-
-
Dang-Nhu, M.1
Pliva, J.2
-
16
-
-
0029777487
-
-
phenyl radical
-
[15] Experimental vibrational frequencies: benzene: M. Dang-Nhu, J. Pliva, J. Mol. Spectrosc. 138 (1989) 423; phenyl radical: J.G. Radziszewski, M.R. Nimlos, P.R. Winter, G.B. Ellison, J. Am. Chem. Soc. 118 (1996) 7400; o-benzyne: J.G. Radziszewski, B.A. Hess Jr., R. Zahradnik, J. Am. Chem. Soc. 112 (1992) 52; ethylene and acetylene: T. Shimanouchi, Tables of Molecular Vibrational Frequencies, Consolidated Volume 1, NSRDS-NBS (1972) 39.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 7400
-
-
Radziszewski, J.G.1
Nimlos, M.R.2
Winter, P.R.3
Ellison, G.B.4
-
17
-
-
0001247645
-
-
o-benzyne
-
[15] Experimental vibrational frequencies: benzene: M. Dang-Nhu, J. Pliva, J. Mol. Spectrosc. 138 (1989) 423; phenyl radical: J.G. Radziszewski, M.R. Nimlos, P.R. Winter, G.B. Ellison, J. Am. Chem. Soc. 118 (1996) 7400; o-benzyne: J.G. Radziszewski, B.A. Hess Jr., R. Zahradnik, J. Am. Chem. Soc. 112 (1992) 52; ethylene and acetylene: T. Shimanouchi, Tables of Molecular Vibrational Frequencies, Consolidated Volume 1, NSRDS-NBS (1972) 39.
-
(1992)
J. Am. Chem. Soc.
, vol.112
, pp. 52
-
-
Radziszewski, J.G.1
Hess B.A., Jr.2
Zahradnik, R.3
-
18
-
-
0001247645
-
-
ethylene and acetylene
-
[15] Experimental vibrational frequencies: benzene: M. Dang-Nhu, J. Pliva, J. Mol. Spectrosc. 138 (1989) 423; phenyl radical: J.G. Radziszewski, M.R. Nimlos, P.R. Winter, G.B. Ellison, J. Am. Chem. Soc. 118 (1996) 7400; o-benzyne: J.G. Radziszewski, B.A. Hess Jr., R. Zahradnik, J. Am. Chem. Soc. 112 (1992) 52; ethylene and acetylene: T. Shimanouchi, Tables of Molecular Vibrational Frequencies, Consolidated Volume 1, NSRDS-NBS (1972) 39.
-
(1972)
Tables of Molecular Vibrational Frequencies, Consolidated Volume 1, NSRDS-NBS
, pp. 39
-
-
Shimanouchi, T.1
-
19
-
-
85033097360
-
-
University of Lund, Lund
-
[16] K. Andersson, M.R.A. Blomberg, M.P. Fülscher, V. Kellö, R. Lindh, P.-Å. Malmqvist, J. Noga, J. Olsen, B.O. Roos, A.J. Sadlej, P.E.M. Siegbahn, M. Urban, P.-O. Widmark, University of Lund, Lund, 1994.
-
(1994)
-
-
Andersson, K.1
Blomberg, M.R.A.2
Fülscher, M.P.3
Kellö, V.4
Lindh, R.5
Malmqvist, P.-A.6
Noga, J.7
Olsen, J.8
Roos, B.O.9
Sadlej, A.J.10
Siegbahn, P.E.M.11
Urban, M.12
Widmark, P.-O.13
-
20
-
-
0010922186
-
-
Gaussian, Inc., Pittsburgh, PA
-
[17] M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, B. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, GAUSSIAN94, version D.2, Gaussian, Inc., Pittsburgh, PA, 1995.
-
(1995)
GAUSSIAN94, Version D.2
-
-
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.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, B.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
22
-
-
0001417446
-
-
[19] R. Lindh, T.J. Lee, A. Bernhardsson, B.J. Persson, G. Kalström, J. Am. Chem. Soc. 117 (1995) 7186.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 7186
-
-
Lindh, R.1
Lee, T.J.2
Bernhardsson, A.3
Persson, B.J.4
Kalström, G.5
-
27
-
-
85033095098
-
-
personal communication of unpublished results described in Ref. [5]
-
[24] D. Hrovat, W.T. Borden, personal communication of unpublished results described in Ref. [5].
-
-
-
Hrovat, D.1
Borden, W.T.2
-
28
-
-
0030866326
-
-
[25] A. Nicolaides, D.M. Smith, F. Jensen, L. Radom, J. Am. Chem. Soc. 119 (1997) 8083. We thank Professor Radom for a copy of this paper in advance of publication.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 8083
-
-
Nicolaides, A.1
Smith, D.M.2
Jensen, F.3
Radom, L.4
-
29
-
-
0000617085
-
-
[26] W.R. Roth, O. Adamczak, R. Breuckmann, H.-W. Lennartz, R. Boese, Chem. Ber. 124 (1991) 2499.
-
(1991)
Chem. Ber.
, vol.124
, pp. 2499
-
-
Roth, W.R.1
Adamczak, O.2
Breuckmann, R.3
Lennartz, H.-W.4
Boese, R.5
-
33
-
-
1542474067
-
-
and references therein
-
[30] M.H. Lim, S.E. Worthington, F.J. Dulles, C.J. Cramer, Am. Chem. Soc., Symp. Ser 628 (1996) 402 and references therein.
-
(1996)
Am. Chem. Soc., Symp. Ser
, vol.628
, pp. 402
-
-
Lim, M.H.1
Worthington, S.E.2
Dulles, F.J.3
Cramer, C.J.4
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