-
3
-
-
0029910672
-
-
Dapprich S., Ujaque G., Maseras F., Lledós A., Musaev D.G., and Morokuma K. J. Am. Chem. Soc. 118 (1996) 11660
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 11660
-
-
Dapprich, S.1
Ujaque, G.2
Maseras, F.3
Lledós, A.4
Musaev, D.G.5
Morokuma, K.6
-
4
-
-
0005946825
-
-
Torrent A.M., Deng L., Duran M., Sola M., and Ziegler T. Organometallics 16 (1997) 13
-
(1997)
Organometallics
, vol.16
, pp. 13
-
-
Torrent, A.M.1
Deng, L.2
Duran, M.3
Sola, M.4
Ziegler, T.5
-
5
-
-
0030690099
-
-
Del Monte A.J., Haller J., Houk K.N., Sharpless K.B., Singleton D.A., Straßner T., and Thomas A.A. J. Am. Chem. Soc. 119 (1997) 9907
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 9907
-
-
Del Monte, A.J.1
Haller, J.2
Houk, K.N.3
Sharpless, K.B.4
Singleton, D.A.5
Straßner, T.6
Thomas, A.A.7
-
12
-
-
33748749075
-
-
Note that the theoretical level of the calculations is slightly different from that in Refs. [7,8] and also from that in the present work. Also, the transition states for the reactions Os1 + ethylene → Os3a and Os1 + ethylene → Os3b were only found after publication of this work. They are reported in Ref. [7]
-
Cappel D., Tüllmann S., Loschen C., Holthausen M.C., and Frenking G. J. Organomet. Chem. 691 (2006) 4467 Note that the theoretical level of the calculations is slightly different from that in Refs. [7,8] and also from that in the present work. Also, the transition states for the reactions Os1 + ethylene → Os3a and Os1 + ethylene → Os3b were only found after publication of this work. They are reported in Ref. [7]
-
(2006)
J. Organomet. Chem.
, vol.691
, pp. 4467
-
-
Cappel, D.1
Tüllmann, S.2
Loschen, C.3
Holthausen, M.C.4
Frenking, G.5
-
13
-
-
33947183075
-
-
Haunschild R., Loschen C., Tüllmann S., Cappel D., Hölscher M., Holthausen M.C., and Frenking G. J. Phys. Org. Chem. 20 (2007) 11
-
(2007)
J. Phys. Org. Chem.
, vol.20
, pp. 11
-
-
Haunschild, R.1
Loschen, C.2
Tüllmann, S.3
Cappel, D.4
Hölscher, M.5
Holthausen, M.C.6
Frenking, G.7
-
19
-
-
39049098271
-
-
(a) M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, gaussian 03, Revision D.01, Gaussian Inc., Wallingford CT, 2004.
-
-
-
-
21
-
-
11744322674
-
-
Andrae D., Häußermann U., Dolg M., Stoll H., and Preuß H. Theor. Chim. Acta 77 (1990) 123
-
(1990)
Theor. Chim. Acta
, vol.77
, pp. 123
-
-
Andrae, D.1
Häußermann, U.2
Dolg, M.3
Stoll, H.4
Preuß, H.5
-
28
-
-
0042413797
-
Molecular reaction modeling from ab initio molecular dynamics
-
Transition state modeling for catalysis. Truhlar D.G., and Morokuma K. (Eds), American Chemical Society, Washington, DC ISBN: 978 0841236103
-
Blöchl P.E., Senn H.M., and Togni A. Molecular reaction modeling from ab initio molecular dynamics. In: Truhlar D.G., and Morokuma K. (Eds). Transition state modeling for catalysis. ACS Symposium Series 721 (1999), American Chemical Society, Washington, DC 88-99 ISBN: 978 0841236103
-
(1999)
ACS Symposium Series
, vol.721
, pp. 88-99
-
-
Blöchl, P.E.1
Senn, H.M.2
Togni, A.3
-
29
-
-
4243539377
-
-
Ahlrichs R., Bär M., Häser M., Horn H., and Kölmel C. Chem. Phys. Lett. 162 (1989) 165
-
(1989)
Chem. Phys. Lett.
, vol.162
, pp. 165
-
-
Ahlrichs, R.1
Bär, M.2
Häser, M.3
Horn, H.4
Kölmel, C.5
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