-
12
-
-
84981778017
-
-
(a) Woodward, R. B.; Hoffmann, R. Angew. Chem., Int. Ed. Engl. 1969, 8, 781-853.
-
(1969)
Angew. Chem., Int. Ed. Engl.
, vol.8
, pp. 781-853
-
-
Woodward, R.B.1
Hoffmann, R.2
-
17
-
-
11344262019
-
-
Dorko, E. A.; McGhee, D. B.; Painter, C. E.; Caponecchi, A. I.; Crossley, R. W. J. Phys. Chem. 1971. 75, 2526-2530.
-
(1971)
J. Phys. Chem.
, vol.75
, pp. 2526-2530
-
-
Dorko, E.A.1
McGhee, D.B.2
Painter, C.E.3
Caponecchi, A.I.4
Crossley, R.W.5
-
18
-
-
0011828473
-
-
Lewis, D.; Keil, M.; Sarr, M. J. Am. Chem. Soc. 1974, 96, 4398-4404.
-
(1974)
Sarr, M. J. Am. Chem. Soc.
, vol.96
, pp. 4398-4404
-
-
Lewis, D.1
Keil, M.2
-
21
-
-
0010275165
-
-
Choudhuray, T. K.; Lin, M. C.; Lin, C.-Y.; Sander, W. A. Combust. Sci. Technol. 1990, 71, 219-232.
-
(1990)
Combust. Sci. Technol.
, vol.71
, pp. 219-232
-
-
Choudhuray, T.K.1
Lin, M.C.2
Lin, C.-Y.3
Sander, W.A.4
-
22
-
-
84986734295
-
-
(a) Lewis, D. K.; Giesler, S. E.; Brown, M. S. Int. J. Chem. Kinet. 1978, 10, 277-294.
-
(1978)
Int. J. Chem. Kinet.
, vol.10
, pp. 277-294
-
-
Lewis, D.K.1
Giesler, S.E.2
Brown, M.S.3
-
23
-
-
0000195779
-
-
(b) Lewis, D. K.; Bergman, J.; Manjoney, R.; Paddock, R.; Kalra, B. L. J. Phys. Chem. 1984, 88, 4112-4116.
-
(1984)
J. Phys. Chem.
, vol.88
, pp. 4112-4116
-
-
Lewis, D.K.1
Bergman, J.2
Manjoney, R.3
Paddock, R.4
Kalra, B.L.5
-
24
-
-
0001477088
-
-
Lewis, D. K.; Baldwin, J. E.; Cianciosi, S. J. J. Phys. Chem. 1990, 94, 7464-7467.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 7464-7467
-
-
Lewis, D.K.1
Baldwin, J.E.2
Cianciosi, S.J.3
-
27
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, Revision A.7; Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98, Revision A.7
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery, J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
29
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785-789.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
32
-
-
0037103923
-
-
a, value of 66.6 kcal/ mol for the homogeneous thermal loss of water from ethanol; see: Park, J.; Zhu, R. S.; Lin, M. C. J. Chem. Phys. 2002, 117, 3224-3231.
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 3224-3231
-
-
Park, J.1
Zhu, R.S.2
Lin, M.C.3
-
33
-
-
0001094684
-
-
Butkovskaya, N. I.; Znao, Y.; Setser, D. W. J. Phys. Chem. 1994, 98, 10779-10786.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 10779-10786
-
-
Butkovskaya, N.I.1
Znao, Y.2
Setser, D.W.3
-
34
-
-
0344718983
-
-
For calculated transition structures for both 1,2-elimination reactions available to 2-fluoroethanol, see: Rajakumar, B.; Reddy, K. P. J.; Arunan, E. J. Phys. Chem. A 2003, 107, 9782-9793.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 9782-9793
-
-
Rajakumar, B.1
Reddy, K.P.J.2
Arunan, E.3
|