-
1
-
-
0000203357
-
-
Doering, W.v.E.; Toscano, V.G.; Beasley, G.H. Tetrahedron 1971, 27, 5299.
-
(1971)
Tetrahedron
, vol.27
, pp. 5299
-
-
Doering, W.V.E.1
Toscano, V.G.2
Beasley, G.H.3
-
4
-
-
0000644074
-
-
Guo, G.-X.; Qin, X.-Z.; Wang, J.T.; Williams, F. J. Am. Chem. Soc. 1988, 110, 1974.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 1974
-
-
Guo, G.-X.1
Qin, X.-Z.2
Wang, J.T.3
Williams, F.4
-
5
-
-
0000727174
-
-
Williams, F.; Guo, Q.-X.; Debout, D.C.; Carpenter, B.K. J. Am. Chem. Soc. 1989, 111, 4133.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 4133
-
-
Williams, F.1
Guo, Q.-X.2
Debout, D.C.3
Carpenter, B.K.4
-
6
-
-
0344901362
-
-
Bauld, N.L.; Bellville, D.J.; Harirchian, B.; Lorenz, K.T.; Pabon, R.A., Jr.; Reynolds, D.W.; Wirth, D.D.; Chiou, H.-S.; Marsh, B.K. Acc. Chem. Res. 1987, 20, 371.
-
(1987)
Acc. Chem. Res.
, vol.20
, pp. 371
-
-
Bauld, N.L.1
Bellville, D.J.2
Harirchian, B.3
Lorenz, K.T.4
Pabon R.A., Jr.5
Reynolds, D.W.6
Wirth, D.D.7
Chiou, H.-S.8
Marsh, B.K.9
-
8
-
-
0020736210
-
-
Bauld, N.L.; Bellville, D.J.; Pabon, R.; Chelsky, R.; Green, G. J. Am. Chem. Soc. 1983, 105, 2378.
-
(1983)
J. Am. Chem. Soc.
, vol.105
, pp. 2378
-
-
Bauld, N.L.1
Bellville, D.J.2
Pabon, R.3
Chelsky, R.4
Green, G.5
-
13
-
-
0033591942
-
-
Haberl, U.; Wiest, O.; Steckhan, E. J. Am. Chem. Soc. 1999, 121, 6730.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 6730
-
-
Haberl, U.1
Wiest, O.2
Steckhan, E.3
-
17
-
-
0002439211
-
-
Marinelli, P.J.; Paulino, J.A.; Sunderlin, L.S.; Wenthold, P.G.; Poutsma, J.C.; Squires, R.R. Int. J. Mass Spectrom. Ion Processes 1994, 130, 89.
-
(1994)
Int. J. Mass Spectrom. Ion Processes
, vol.130
, pp. 89
-
-
Marinelli, P.J.1
Paulino, J.A.2
Sunderlin, L.S.3
Wenthold, P.G.4
Poutsma, J.C.5
Squires, R.R.6
-
18
-
-
0004004023
-
-
NIST Standard Reference Database Number 69; Mallard, W.G., Linstrom, P.J., Eds.; National Institute of Standards and Technology: Gaithersburg, MD, February
-
Lias, S.G. Ionization Energy Evaluation; NIST Chemistry WebBook; NIST Standard Reference Database Number 69; Mallard, W.G., Linstrom, P.J., Eds.; National Institute of Standards and Technology: Gaithersburg, MD, February 2000 (http://webbook.nist.gov).
-
(2000)
Ionization Energy Evaluation
-
-
Lias, S.G.1
-
19
-
-
0011402167
-
-
note
-
At the CCSD(T)) level of theory, the cis-butadiene radical cation is calculated to be ca. 4 kcal/mol higher in energy than the trans isomer and therefore can be only barely accessed in the reaction between the benzene radical cation and trans-butadiene. Therefore, the amount of cis-butadiene radical cation is not likely greater than the thermal population of neutral cis-butadiene, < 1% at room temperature. The barrier for cis-trans isomerization in the butadiene radical cation is calculated to be about 25 kcal/mol, and the reaction will not occur appreciably under thermal conditions.
-
-
-
-
20
-
-
0032537953
-
-
Sastry, G.N.; Bally, T.; Hrouda, V.; Cársky, P. J. Am. Chem. Soc. 1998, 120, 9323.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 9323
-
-
Sastry, G.N.1
Bally, T.2
Hrouda, V.3
Cársky, P.4
-
22
-
-
0011498261
-
-
note
-
Small differences in the measured appearance curves for each ion are observed on different days, but the relative variations are consistently observed. Absolute standard deviations of appearance-curve properties are listed in Table 1.
-
-
-
-
23
-
-
0011448412
-
-
note
-
Normalization at 25 eV is arbitrary and is chosen to match the appearance curves shown in Figure 2. The conclusions of this study do not depend on the energy chosen as the normalization point.
-
-
-
-
25
-
-
0001766175
-
-
Stirk, K.M.; Kiminkinen, L.K.M.; Kenttämaa, H.I. Chem. Rev. 1992, 92, 1649.
-
(1992)
Chem. Rev.
, vol.92
, pp. 1649
-
-
Stirk, K.M.1
Kiminkinen, L.K.M.2
Kenttämaa, H.I.3
-
26
-
-
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., Jr.; 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.; Lin, 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, I.A. Gaussian 98, revision A.9; Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98, revision A.9
-
-
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., Jr.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
Lin, 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, I.A.57
more..
|