-
1
-
-
0034299604
-
-
Kaes, C., Katz, A., and Hosseini, M. W. Chem. Rev. 2000, 100, 3553
-
(2000)
Chem. Rev.
, vol.100
, pp. 3553
-
-
Kaes, C.1
Katz, A.2
Hosseini, M.W.3
-
2
-
-
34548590593
-
-
Kwong, H. L., Yeung, H. L., Yeung, C. T., Lee, W. S., Lee, C. S., and Wong, W. L. Coord. Chem. Rev. 2007, 251, 2188
-
(2007)
Coord. Chem. Rev.
, vol.251
, pp. 2188
-
-
Kwong, H.L.1
Yeung, H.L.2
Yeung, C.T.3
Lee, W.S.4
Lee, C.S.5
Wong, W.L.6
-
3
-
-
77956226529
-
-
Kharisov, B. I., Martinez, P. E., Jimenez-Perez, V. M., Kharissova, O. V., Martinez, B. N., and Perez, N. J. Coord. Chem. 2010, 63, 1
-
(2010)
J. Coord. Chem.
, vol.63
, pp. 1
-
-
Kharisov, B.I.1
Martinez, P.E.2
Jimenez-Perez, V.M.3
Kharissova, O.V.4
Martinez, B.N.5
Perez, N.6
-
4
-
-
22544470890
-
-
Tsierkezos, N. G., Diefenbach, M., Roithová, J., Schröder, D., and Schwarz, H. Inorg. Chem. 2005, 44, 4969
-
(2005)
Inorg. Chem.
, vol.44
, pp. 4969
-
-
Tsierkezos, N.G.1
Diefenbach, M.2
Roithová, J.3
Schröder, D.4
Schwarz, H.5
-
11
-
-
58149341747
-
-
Hrdina, R., Boyd, R., Valterová, I., Hodačová, J., and Kotora, M. Synlett 2008, 3141
-
(2008)
Synlett
, pp. 3141
-
-
Hrdina, R.1
Boyd, R.2
Valterová, I.3
Hodačová, J.4
Kotora, M.5
-
12
-
-
42149130246
-
-
Malkov, A. V., Ramirez-Lopez, P., Biedermannová, L., Rulísœek, L., Dufková, L., Kotora, M., Zhu, F. J., and Kočovský, P. J. Am. Chem. Soc. 2008, 130, 5341
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 5341
-
-
Malkov, A.V.1
Ramirez-Lopez, P.2
Biedermannová, L.3
Rulísœ ek, L.4
Dufková, L.5
Kotora, M.6
Zhu, F.J.7
Kočovský, P.8
-
13
-
-
65349192848
-
-
Hrdina, R., Opekar, F., Roithová, J., and Kotora, M. Chem. Commun. 2009, 2314
-
(2009)
Chem. Commun.
, pp. 2314
-
-
Hrdina, R.1
Opekar, F.2
Roithová, J.3
Kotora, M.4
-
14
-
-
56749182297
-
-
For example, see
-
For example, see: Zheng, K., Shi, J., Liu, X. H., and Feng, X. M. J. Am. Chem. Soc. 2008, 13, 15770
-
(2008)
J. Am. Chem. Soc.
, vol.13
, pp. 15770
-
-
Zheng, K.1
Shi, J.2
Liu, X.H.3
Feng, X.M.4
-
15
-
-
63849131953
-
-
Shang, D. J., Liu, Y. L., Zhou, X., Liu, X. H., and Feng, X. M. Chem. - Eur. J. 2009, 15, 3678
-
(2009)
Chem. - Eur. J.
, vol.15
, pp. 3678
-
-
Shang, D.J.1
Liu, Y.L.2
Zhou, X.3
Liu, X.H.4
Feng, X.M.5
-
17
-
-
34548202698
-
-
Narancic, S., Bach, A., and Chen, P. J. Phys. Chem. A 2007, 111, 7006
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 7006
-
-
Narancic, S.1
Bach, A.2
Chen, P.3
-
18
-
-
55249087892
-
-
Armentrout, P. B., Ervin, K. M., and Rodgers, M. T. J. Chem. Phys. 2008, 112, 10071
-
(2008)
J. Chem. Phys.
, vol.112
, pp. 10071
-
-
Armentrout, P.B.1
Ervin, K.M.2
Rodgers, M.T.3
-
19
-
-
0042206415
-
-
Schröder, D., Engeser, M., Brönstrup, M., Daniel, C., Spandl, J., and Hartl, H. Int. J. Mass Spectrom. 2003, 228, 743
-
(2003)
Int. J. Mass Spectrom.
, vol.228
, pp. 743
-
-
Schröder, D.1
Engeser, M.2
Brönstrup, M.3
Daniel, C.4
Spandl, J.5
Hartl, H.6
-
24
-
-
0004255534
-
-
2nd ed.; Wiley: New York.
-
Holbrook, K. A., Pilling, M. J., and Robertson, S. H. Unimolecular Reactions, 2nd ed.; Wiley: New York, 1996.
-
(1996)
Unimolecular Reactions
-
-
Holbrook, K.A.1
Pilling, M.J.2
Robertson, S.H.3
-
25
-
-
77956499083
-
-
Rezabal, E., Ducháčková, L., Milko, P., Holthausen, M. C., and Roithová, J. Inorg. Chem. 2010, 49, 8421 - 8429.
-
(2010)
Inorg. Chem.
, vol.49
, pp. 8421-8429
-
-
Rezabal, E.1
Ducháčková, L.2
Milko, P.3
Holthausen, M.C.4
Roithová, J.5
-
26
-
-
33344468031
-
-
Mac Aleese, L., Simon, A., McMahon, T. B., Ortega, J. M., Scuderi, D., Lemaire, J., and Maitre, P. Int. J. Mass Spectrom. 2006, 249, 14-20
-
(2006)
Int. J. Mass Spectrom.
, vol.249
, pp. 14-20
-
-
Mac Aleese, L.1
Simon, A.2
McMahon, T.B.3
Ortega, J.M.4
Scuderi, D.5
Lemaire, J.6
Maitre, P.7
-
27
-
-
0000216001
-
-
Vosko, S. H., Wilk, L., and Nusair, M. Can. J. Phys. 1980, 58, 1200
-
(1980)
Can. J. Phys.
, vol.58
, pp. 1200
-
-
Vosko, S.H.1
Wilk, L.2
Nusair, M.3
-
28
-
-
0345491105
-
-
Lee, C., Yang, W., and Parr, R. G. Phys. Rev. B 1988, 37, 785
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
31
-
-
0038626673
-
-
revision C.02; Gaussian, Inc.: Wallingford, CT.
-
Frisch, M. J. Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford, CT, 2004.
-
(2004)
Gaussian 03
-
-
Frisch, M.J.1
-
32
-
-
0035959631
-
-
A scaling factor of 0.983 has been reported for the prediction of the IR spectrum of phenol calculated at the B3LYP/6-311++G(df,pd) level of theory.
-
A scaling factor of 0.983 has been reported for the prediction of the IR spectrum of phenol calculated at the B3LYP/6-311++G(df,pd) level of theory. Michalska, D., Zierkiewicz, W., Bienko, D. C., Wojciechowski, T., and Zeegers-Huyskens, W. J. Phys. Chem. A 2001, 105, 8734
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 8734
-
-
Michalska, D.1
Zierkiewicz, W.2
Bienko, D.C.3
Wojciechowski, T.4
Zeegers-Huyskens, W.5
-
33
-
-
36649020243
-
-
For the method B3LYP/6-311+G(d,p), a scaling factor of 0.9688 is suggested in the work following:,. This scaling, however, does not lead to an agreement with the experimental spectra
-
For the method B3LYP/6-311+G(d,p), a scaling factor of 0.9688 is suggested in the work following: Merrick, J. P., Moran, D., and Radom, L. J. Phys. Chem. A 2007, 111, 11683. This scaling, however, does not lead to an agreement with the experimental spectra
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 11683
-
-
Merrick, J.P.1
Moran, D.2
Radom, L.3
-
34
-
-
0032003674
-
-
Baker, J., Jarzecki, A. A., and Pulay, P. J. Phys. Chem. A 1998, 102, 1412
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 1412
-
-
Baker, J.1
Jarzecki, A.A.2
Pulay, P.3
-
36
-
-
33746465838
-
-
Schröder, D., Schwarz, H., Milko, P., and Roithová, J. J. Phys. Chem. A 2006, 110, 8346
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 8346
-
-
Schröder, D.1
Schwarz, H.2
Milko, P.3
Roithová, J.4
-
38
-
-
53049104838
-
-
Simon, A., Joblin, Ch., Polfer, N., and Oomens, J. J. Phys. Chem. 2008, 112, 8551
-
(2008)
J. Phys. Chem.
, vol.112
, pp. 8551
-
-
Simon, A.1
Joblin, Ch.2
Polfer, N.3
Oomens, J.4
-
39
-
-
77957281283
-
-
note
-
-1.
-
-
-
-
41
-
-
4644353664
-
-
O'Hair, R. A. J., Vrkic, A. K., and James, P. F. J. Am. Chem. Soc. 2004, 126, 12173
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 12173
-
-
O'Hair, R.A.J.1
Vrkic, A.K.2
James, P.F.3
-
42
-
-
77957287533
-
-
A tight transition state was assumed.
-
A tight transition state was assumed.
-
-
-
-
43
-
-
77957276660
-
-
A loose transition state was assumed.
-
A loose transition state was assumed.
-
-
-
-
44
-
-
0036756786
-
-
Schröder, D., Weiske, T., and Schwarz, H. Int. J. Mass Spectrom. 2002, 219, 729
-
(2002)
Int. J. Mass Spectrom.
, vol.219
, pp. 729
-
-
Schröder, D.1
Weiske, T.2
Schwarz, H.3
-
45
-
-
4944267510
-
-
Schröder, D., Holthausen, M. C., and Schwarz, H. J. Phys. Chem. B 2004, 108, 14407
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 14407
-
-
Schröder, D.1
Holthausen, M.C.2
Schwarz, H.3
-
46
-
-
0141720344
-
-
Schröder, D., Semialjac, M., and Schwarz, H. Eur. J. Mass Spectrom. 2003, 9, 287
-
(2003)
Eur. J. Mass Spectrom.
, vol.9
, pp. 287
-
-
Schröder, D.1
Semialjac, M.2
Schwarz, H.3
-
47
-
-
37049104221
-
-
Skapski, A. C., Sutcliffe, V. F., and Young, G. B. J. Chem. Soc., Chem. Commun. 1985, 609
-
(1985)
J. Chem. Soc., Chem. Commun.
, pp. 609
-
-
Skapski, A.C.1
Sutcliffe, V.F.2
Young, G.B.3
-
48
-
-
0039776255
-
-
Minghetti, G., Doppiu, A., Zucca, A., Stoccoro, S., Cinellu, M. A., Manassero, M., and Sansoni, M. Chem. Heterocycl. Compd. 1999, 8, 1127
-
(1999)
Chem. Heterocycl. Compd.
, vol.8
, pp. 1127
-
-
Minghetti, G.1
Doppiu, A.2
Zucca, A.3
Stoccoro, S.4
Cinellu, M.A.5
Manassero, M.6
Sansoni, M.7
-
49
-
-
68149149762
-
-
Butschke, B., Schröder, D., and Schwarz, H. Organometallics 2009, 28, 4340
-
(2009)
Organometallics
, vol.28
, pp. 4340
-
-
Butschke, B.1
Schröder, D.2
Schwarz, H.3
-
50
-
-
70349150576
-
-
Tyo, E. C., Castleman, A. W., Schröder, D., Milko, P., Roithová, J., Ortega, J. M., Cinellu, M. A., Cocco, F., and Minghetti, G. J. Am. Chem. Soc. 2009, 131, 13009
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 13009
-
-
Tyo, E.C.1
Castleman, A.W.2
Schröder, D.3
Milko, P.4
Roithová, J.5
Ortega, J.M.6
Cinellu, M.A.7
Cocco, F.8
Minghetti, G.9
-
51
-
-
0001068381
-
-
Ohtake, H., Higuchi, T., and Hirobe, M. Heterocycles 1995, 40, 867
-
(1995)
Heterocycles
, vol.40
, pp. 867
-
-
Ohtake, H.1
Higuchi, T.2
Hirobe, M.3
-
52
-
-
67650422295
-
-
Hong, S., Gupta, A. K., and Tolman, W. B. Inorg. Chem. 2009, 48, 6323
-
(2009)
Inorg. Chem.
, vol.48
, pp. 6323
-
-
Hong, S.1
Gupta, A.K.2
Tolman, W.B.3
|