-
1
-
-
5544316456
-
-
Heller, H. E.; Hughes, E. D.; Ingold, C. K. Nature 1951, 168, 910.
-
(1951)
Nature
, vol.168
, pp. 910
-
-
Heller, H.E.1
Hughes, E.D.2
Ingold, C.K.3
-
3
-
-
0022489445
-
-
For reviews, see: Neuman, H.-G. J Cancer Res Clin Oncol 1986, 112, 100; Beland, F. A.; Kadlubar, F. F. Environ Health Perspect 1985, 62, 19; Garner, R. C.; Martin, C. N.; Clayson, D. B. In Chemical Carcinogens; Searle, C. E., Ed. (ACS Symposium Series 182, Vol 1) American Chemical Society: Washington, DC, 1984; Miller, J. A.; Miller, E. C Environ Health Perspect 1983, 49, 3; Kriek, E.; Westra, J. G. In Chemical Carcinogens and DNA; Grover, P. L. Ed. Vol 2. CRC Press: Boca Raton, FL, 1979.
-
(1986)
J Cancer Res Clin Oncol
, vol.112
, pp. 100
-
-
Neuman, H.-G.1
-
4
-
-
0022273489
-
-
For reviews, see: Neuman, H.-G. J Cancer Res Clin Oncol 1986, 112, 100; Beland, F. A.; Kadlubar, F. F. Environ Health Perspect 1985, 62, 19; Garner, R. C.; Martin, C. N.; Clayson, D. B. In Chemical Carcinogens; Searle, C. E., Ed. (ACS Symposium Series 182, Vol 1) American Chemical Society: Washington, DC, 1984; Miller, J. A.; Miller, E. C Environ Health Perspect 1983, 49, 3; Kriek, E.; Westra, J. G. In Chemical Carcinogens and DNA; Grover, P. L. Ed. Vol 2. CRC Press: Boca Raton, FL, 1979.
-
(1985)
Environ Health Perspect
, vol.62
, pp. 19
-
-
Beland, F.A.1
Kadlubar, F.F.2
-
5
-
-
0004051492
-
-
Searle, C. E., Ed. ACS Symposium Series 182, American Chemical Society: Washington, DC
-
For reviews, see: Neuman, H.-G. J Cancer Res Clin Oncol 1986, 112, 100; Beland, F. A.; Kadlubar, F. F. Environ Health Perspect 1985, 62, 19; Garner, R. C.; Martin, C. N.; Clayson, D. B. In Chemical Carcinogens; Searle, C. E., Ed. (ACS Symposium Series 182, Vol 1) American Chemical Society: Washington, DC, 1984; Miller, J. A.; Miller, E. C Environ Health Perspect 1983, 49, 3; Kriek, E.; Westra, J. G. In Chemical Carcinogens and DNA; Grover, P. L. Ed. Vol 2. CRC Press: Boca Raton, FL, 1979.
-
(1984)
Chemical Carcinogens
, vol.1
-
-
Garner, R.C.1
Martin, C.N.2
Clayson, D.B.3
-
6
-
-
0020644887
-
-
For reviews, see: Neuman, H.-G. J Cancer Res Clin Oncol 1986, 112, 100; Beland, F. A.; Kadlubar, F. F. Environ Health Perspect 1985, 62, 19; Garner, R. C.; Martin, C. N.; Clayson, D. B. In Chemical Carcinogens; Searle, C. E., Ed. (ACS Symposium Series 182, Vol 1) American Chemical Society: Washington, DC, 1984; Miller, J. A.; Miller, E. C Environ Health Perspect 1983, 49, 3; Kriek, E.; Westra, J. G. In Chemical Carcinogens and DNA; Grover, P. L. Ed. Vol 2. CRC Press: Boca Raton, FL, 1979.
-
(1983)
Environ Health Perspect
, vol.49
, pp. 3
-
-
Miller, J.A.1
Miller, E.C.2
-
7
-
-
0343653815
-
-
Grover, P. L. Ed. CRC Press: Boca Raton, FL
-
For reviews, see: Neuman, H.-G. J Cancer Res Clin Oncol 1986, 112, 100; Beland, F. A.; Kadlubar, F. F. Environ Health Perspect 1985, 62, 19; Garner, R. C.; Martin, C. N.; Clayson, D. B. In Chemical Carcinogens; Searle, C. E., Ed. (ACS Symposium Series 182, Vol 1) American Chemical Society: Washington, DC, 1984; Miller, J. A.; Miller, E. C Environ Health Perspect 1983, 49, 3; Kriek, E.; Westra, J. G. In Chemical Carcinogens and DNA; Grover, P. L. Ed. Vol 2. CRC Press: Boca Raton, FL, 1979.
-
(1979)
Chemical Carcinogens and DNA
, vol.2
-
-
Kriek, E.1
Westra, J.G.2
-
8
-
-
5544238045
-
-
Attina, M.; Cacace, F.; DePetris, G.; Grandinetti, F. Int J Mass Spect Ion Proc 1989, 90, 263.
-
(1989)
Int J Mass Spect Ion Proc
, vol.90
, pp. 263
-
-
Attina, M.1
Cacace, F.2
DePetris, G.3
Grandinetti, F.4
-
9
-
-
0000450176
-
-
Davidse, P. A.; Kahley, M. J.; McClelland, R. A.; Novak, M. J Am Chem Soc 1997, 116, 4513; Robbins, R. J.; Lantan, D. M.; Falvey, D. M. 1996, 118, 8127; McClelland, R. A. Tetrehedron 1996, 52, 6823; Rieker, A.; Speiser, B. Tetrahed Lett 1990, 31, 5013; Fishbein, J. C.; McClelland, R. A. J Am Chem Soc 1987, 109, 2824.
-
(1997)
J Am Chem Soc
, vol.116
, pp. 4513
-
-
Davidse, P.A.1
Kahley, M.J.2
McClelland, R.A.3
Novak, M.4
-
10
-
-
0029787938
-
-
Davidse, P. A.; Kahley, M. J.; McClelland, R. A.; Novak, M. J Am Chem Soc 1997, 116, 4513; Robbins, R. J.; Lantan, D. M.; Falvey, D. M. 1996, 118, 8127; McClelland, R. A. Tetrehedron 1996, 52, 6823; Rieker, A.; Speiser, B. Tetrahed Lett 1990, 31, 5013; Fishbein, J. C.; McClelland, R. A. J Am Chem Soc 1987, 109, 2824.
-
(1996)
J Am Chem Soc
, vol.118
, pp. 8127
-
-
Robbins, R.J.1
Lantan, D.M.2
Falvey, D.M.3
-
11
-
-
0029968191
-
-
Davidse, P. A.; Kahley, M. J.; McClelland, R. A.; Novak, M. J Am Chem Soc 1997, 116, 4513; Robbins, R. J.; Lantan, D. M.; Falvey, D. M. 1996, 118, 8127; McClelland, R. A. Tetrehedron 1996, 52, 6823; Rieker, A.; Speiser, B. Tetrahed Lett 1990, 31, 5013; Fishbein, J. C.; McClelland, R. A. J Am Chem Soc 1987, 109, 2824.
-
(1996)
Tetrehedron
, vol.52
, pp. 6823
-
-
McClelland, R.A.1
-
12
-
-
0024987698
-
-
Davidse, P. A.; Kahley, M. J.; McClelland, R. A.; Novak, M. J Am Chem Soc 1997, 116, 4513; Robbins, R. J.; Lantan, D. M.; Falvey, D. M. 1996, 118, 8127; McClelland, R. A. Tetrehedron 1996, 52, 6823; Rieker, A.; Speiser, B. Tetrahed Lett 1990, 31, 5013; Fishbein, J. C.; McClelland, R. A. J Am Chem Soc 1987, 109, 2824.
-
(1990)
Tetrahed Lett
, vol.31
, pp. 5013
-
-
Rieker, A.1
Speiser, B.2
-
13
-
-
0000860795
-
-
Davidse, P. A.; Kahley, M. J.; McClelland, R. A.; Novak, M. J Am Chem Soc 1997, 116, 4513; Robbins, R. J.; Lantan, D. M.; Falvey, D. M. 1996, 118, 8127; McClelland, R. A. Tetrehedron 1996, 52, 6823; Rieker, A.; Speiser, B. Tetrahed Lett 1990, 31, 5013; Fishbein, J. C.; McClelland, R. A. J Am Chem Soc 1987, 109, 2824.
-
(1987)
J Am Chem Soc
, vol.109
, pp. 2824
-
-
Fishbein, J.C.1
McClelland, R.A.2
-
14
-
-
37049099012
-
-
Kohnstam, G.; Petch, W. A.; Williams, D. L. H. JCS Perkin Trans 1984, 2, 423; Williams, D. L. H; Buncel, E. Isotopes in Organic Chemistry, Vol 5, Buncel, E.; Lee, C. E., Ed. Elsevier: Amsterdam, 1980.
-
(1984)
JCS Perkin Trans
, vol.2
, pp. 423
-
-
Kohnstam, G.1
Petch, W.A.2
Williams, D.L.H.3
-
15
-
-
0004233459
-
-
Buncel, E.; Lee, C. E., Ed. Elsevier: Amsterdam
-
Kohnstam, G.; Petch, W. A.; Williams, D. L. H. JCS Perkin Trans 1984, 2, 423; Williams, D. L. H; Buncel, E. Isotopes in Organic Chemistry, Vol 5, Buncel, E.; Lee, C. E., Ed. Elsevier: Amsterdam, 1980.
-
(1980)
Isotopes in Organic Chemistry
, vol.5
-
-
Williams, D.L.H.1
Buncel, E.2
-
19
-
-
0000184145
-
-
Li, Y.; Abramovich, R. A.; Houk, K. N. J Org Chem 1989, 54, 2911; Ohwada, T.; Shudo, K. J Am Chem Soc 1989, 111, 34.
-
(1989)
J Org Chem
, vol.54
, pp. 2911
-
-
Li, Y.1
Abramovich, R.A.2
Houk, K.N.3
-
20
-
-
0011389852
-
-
Li, Y.; Abramovich, R. A.; Houk, K. N. J Org Chem 1989, 54, 2911; Ohwada, T.; Shudo, K. J Am Chem Soc 1989, 111, 34.
-
(1989)
J Am Chem Soc
, vol.111
, pp. 34
-
-
Ohwada, T.1
Shudo, K.2
-
21
-
-
0000757043
-
-
Cramer, C. J.; Dulles, F. J.; Falvey, D. E. J Am Chem Soc 1994, 116, 9787.
-
(1994)
J Am Chem Soc
, vol.116
, pp. 9787
-
-
Cramer, C.J.1
Dulles, F.J.2
Falvey, D.E.3
-
22
-
-
0000248505
-
-
Novak, M.; Kahley, M. J.; Lin, J.; Kennedy, S. A.; Swanegan, L. A. J Am Chem Soc 1994, 116, 11626.
-
(1994)
J Am Chem Soc
, vol.116
, pp. 11626
-
-
Novak, M.1
Kahley, M.J.2
Lin, J.3
Kennedy, S.A.4
Swanegan, L.A.5
-
24
-
-
0030006665
-
-
McClelland, R. A.; Kahley, M. J.; Davidse, P. A.; Hadzialic, G. J Am Chem Soc 1996, 118, 4794.
-
(1996)
J Am Chem Soc
, vol.118
, pp. 4794
-
-
McClelland, R.A.1
Kahley, M.J.2
Davidse, P.A.3
Hadzialic, G.4
-
26
-
-
0000836051
-
-
Guerra, A.; Lunazzi, L. J Org Chem 1995, 60, 7959. See also: Joinings, W. B.; Wilson, V. E. In Acyclic Organonitrogen Stereodynamics; Lambert, J. B.; Takeuchi, Y., Eds. VCH: New York, 1992; Bach, R. D.; Raban, M. In Cyclic Organonitrogen Stereodynamics; Lambert, J. B.; Takeuchi, Y., Eds. VCH: New York, 1992.
-
(1995)
J Org Chem
, vol.60
, pp. 7959
-
-
Guerra, A.1
Lunazzi, L.2
-
27
-
-
0003960193
-
-
Lambert, J. B.; Takeuchi, Y., Eds. VCH: New York
-
Guerra, A.; Lunazzi, L. J Org Chem 1995, 60, 7959. See also: Joinings, W. B.; Wilson, V. E. In Acyclic Organonitrogen Stereodynamics; Lambert, J. B.; Takeuchi, Y., Eds. VCH: New York, 1992; Bach, R. D.; Raban, M. In Cyclic Organonitrogen Stereodynamics; Lambert, J. B.; Takeuchi, Y., Eds. VCH: New York, 1992.
-
(1992)
Acyclic Organonitrogen Stereodynamics
-
-
Joinings, W.B.1
Wilson, V.E.2
-
28
-
-
0004288526
-
-
Lambert, J. B.; Takeuchi, Y., Eds. VCH: New York
-
Guerra, A.; Lunazzi, L. J Org Chem 1995, 60, 7959. See also: Joinings, W. B.; Wilson, V. E. In Acyclic Organonitrogen Stereodynamics; Lambert, J. B.; Takeuchi, Y., Eds. VCH: New York, 1992; Bach, R. D.; Raban, M. In Cyclic Organonitrogen Stereodynamics; Lambert, J. B.; Takeuchi, Y., Eds. VCH: New York, 1992.
-
(1992)
Cyclic Organonitrogen Stereodynamics
-
-
Bach, R.D.1
Raban, M.2
-
30
-
-
5544282681
-
-
Wavefunction, Inc, 18401 Von Karman Avenue, Suite 370, Irvine, CA 92612
-
SPARTAN, versions 3 and 4, Wavefunction, Inc, 18401 Von Karman Avenue, Suite 370, Irvine, CA 92612.
-
SPARTAN, Versions 3 and 4
-
-
-
31
-
-
0842341771
-
-
Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. J. P. J Am Chem Soc 1985, 107, 3902.
-
(1985)
J Am Chem Soc
, vol.107
, pp. 3902
-
-
Dewar, M.J.S.1
Zoebisch, E.G.2
Healy, E.F.3
Stewart, J.J.P.4
-
32
-
-
2442617487
-
-
Basis sets, HF/3-21G: Binkley, J. S.; Pople, J. A.; Hehre, W. J. J Am Chem Soc 1980, 102, 939; 6-31G(d): Hariharan, P. C.; Pople, J. A. Chem Phys Lett 1972, 66, 217.
-
(1980)
J Am Chem Soc
, vol.102
, pp. 939
-
-
Binkley, J.S.1
Pople, J.A.2
Hehre, W.J.3
-
33
-
-
49649133169
-
-
Basis sets, HF/3-21G: Binkley, J. S.; Pople, J. A.; Hehre, W. J. J Am Chem Soc 1980, 102, 939; 6-31G(d): Hariharan, P. C.; Pople, J. A. Chem Phys Lett 1972, 66, 217.
-
(1972)
Chem Phys Lett
, vol.66
, pp. 217
-
-
Hariharan, P.C.1
Pople, J.A.2
-
34
-
-
84983920787
-
-
Pople, J. A.; Schlegel, H. B.; Krishnan, P.; DeFrees, D. J.; Binkley, J. S.; Frisch, M. J.; Whiteside, R. A.; Hout, R. F.; Hehre, W. J. Int J Quantum Chem QBS 1981, 15, 269.
-
(1981)
J. Int J Quantum Chem QBS
, vol.15
, pp. 269
-
-
Pople, J.A.1
Schlegel, H.B.2
Krishnan, P.3
DeFrees, D.J.4
Binkley, J.S.5
Frisch, M.J.6
Whiteside, R.A.7
Hout, R.F.8
Hehre, W.9
-
35
-
-
0038698129
-
-
Reed, A. E.; Curtiss, L. A.; Weinhold, F. Chem Rev 1988, 88, 735.
-
(1988)
Chem Rev
, vol.88
, pp. 735
-
-
Reed, A.E.1
Curtiss, L.A.2
Weinhold, F.3
-
37
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; 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 (Revision D.4), Gaussian, Inc., Pittsburgh, PA, 1995.
-
(1995)
GAUSSIAN-94 (Revision D.4)
-
-
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, 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..
-
41
-
-
5544274664
-
-
In the interests of brevity, the details of these calculations are not reported; however, they may be obtained from the authors on request
-
In the interests of brevity, the details of these calculations are not reported; however, they may be obtained from the authors on request.
-
-
-
-
43
-
-
84873055189
-
-
John Wiley & Sons: New York
-
Hehre, W. J.; Radom, L.; Schleyer, P. v. R.; Pople, J. A. In Ab Initio Molecular Orbital Theory. John Wiley & Sons: New York, 1986, 146.
-
(1986)
Ab Initio Molecular Orbital Theory
, pp. 146
-
-
Hehre, W.J.1
Radom, L.2
Schleyer, P.V.R.3
Pople, J.A.4
-
44
-
-
0001654804
-
-
Experimental value is 1.402 Å: Niu, Z.; Boggs, J. E. Theochem, 1984, 109, 381.
-
(1984)
Theochem
, vol.109
, pp. 381
-
-
Niu, Z.1
Boggs, J.E.2
-
46
-
-
0031587449
-
-
Srivastava, S.; Toscano, J. P.; Moran, R. J.; Falvey, D. E. J Am Chem Soc 1997, 119, 11552.
-
(1997)
J Am Chem Soc
, vol.119
, pp. 11552
-
-
Srivastava, S.1
Toscano, J.P.2
Moran, R.J.3
Falvey, D.E.4
-
47
-
-
0001743567
-
-
Gonzales, C.; Restrepo-Cossio, A.; Márquez, M.; Wiberg, K. B.; DeRosa, M. J Phys Chem A 1998, 102, 2732.
-
(1998)
J Phys Chem A
, vol.102
, pp. 2732
-
-
Gonzales, C.1
Restrepo-Cossio, A.2
Márquez, M.3
Wiberg, K.B.4
DeRosa, M.5
-
50
-
-
5544259160
-
-
note
-
N in Table VI), which fall in the very narrow range of 0.398 ± 0.009.
-
-
-
|