-
2
-
-
84862521445
-
-
J. F. Gonthier, S. N. Steinmann, M. D. Wodrich, C. Corminboeuf, Chem. Soc. Rev. 2012, 41, 4671-4687.
-
(2012)
Chem. Soc. Rev.
, vol.41
, pp. 4671-4687
-
-
Gonthier, J.F.1
Steinmann, S.N.2
Wodrich, M.D.3
Corminboeuf, C.4
-
4
-
-
0142213302
-
-
R. Hoffmann, S. Shaik, P. C. Hiberty, Acc. Chem. Res. 2003, 36, 750-756.
-
(2003)
Acc. Chem. Res.
, vol.36
, pp. 750-756
-
-
Hoffmann, R.1
Shaik, S.2
Hiberty, P.C.3
-
5
-
-
69249209772
-
-
S. Shaik, D. Danovich, W. Wu, P. C. Hiberty, Nat. Chem. 2009, 1, 443-449.
-
(2009)
Nat. Chem.
, vol.1
, pp. 443-449
-
-
Shaik, S.1
Danovich, D.2
Wu, W.3
Hiberty, P.C.4
-
6
-
-
0001011577
-
-
R. F. W. Bader, S. G. Anderson, A. J. Duke, J. Am. Chem. Soc. 1979, 101, 1389-1395.
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 1389-1395
-
-
Bader, R.F.W.1
Anderson, S.G.2
Duke, A.J.3
-
7
-
-
0347858842
-
-
R. F. W. Bader, P. J. MacDougall, C. D. H. Lau, J. Am. Chem. Soc. 1984, 106, 1594-1605.
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 1594-1605
-
-
Bader, R.F.W.1
Macdougall, P.J.2
Lau, C.D.H.3
-
11
-
-
0005903414
-
-
K. B. Wiberg, G. J. Burgmaier, K. W. Shen, S. J. La Placa, W. C. Hamilton, M. D. Newton, J. Am. Chem. Soc. 1972, 94, 7402-7406.
-
(1972)
J. Am. Chem. Soc.
, vol.94
, pp. 7402-7406
-
-
Wiberg, K.B.1
Burgmaier, G.J.2
Shen, K.W.3
La Placa, S.J.4
Hamilton, W.C.5
Newton, M.D.6
-
13
-
-
21244435690
-
-
M. Messerschmidt, S. Scheins, L. Grubert, M. Pätzel, G. Szeimies, C. Paulmann, P. Luger, Angew. Chem. Int. Ed. 2005, 44, 3925-3928
-
(2005)
Angew. Chem. Int. Ed.
, vol.44
, pp. 3925-3928
-
-
Messerschmidt, M.1
Scheins, S.2
Grubert, L.3
Pätzel, M.4
Szeimies, G.5
Paulmann, C.6
Luger, P.7
-
14
-
-
27544452289
-
-
Angew. Chem. 2005, 117, 3993-3997.
-
(2005)
Angew. Chem.
, vol.117
, pp. 3993-3997
-
-
-
15
-
-
62349089329
-
-
L. X. Zhang, F. M. Ying, W. Wu, P. C. Hiberty, S. Shaik, Chem. Eur. J. 2009, 15, 2979-2989.
-
(2009)
Chem. Eur. J.
, vol.15
, pp. 2979-2989
-
-
Zhang, L.X.1
Ying, F.M.2
Wu, W.3
Hiberty, P.C.4
Shaik, S.5
-
16
-
-
60149086644
-
-
W. Wu, J. J. Gu, J. S. Song, S. Shaik, P. C. Hiberty, Angew. Chem. Int. Ed. 2009, 48, 1407-1410
-
(2009)
Angew. Chem. Int. Ed.
, vol.48
, pp. 1407-1410
-
-
Wu, W.1
Gu, J.J.2
Song, J.S.3
Shaik, S.4
Hiberty, P.C.5
-
17
-
-
69249119051
-
-
Angew. Chem. 2009, 121, 1435-1438.
-
(2009)
Angew. Chem.
, vol.121
, pp. 1435-1438
-
-
-
18
-
-
70350129752
-
-
S. Shaik, Z. H. Chen, W. Wu, A. Stanger, D. Danovich, P. C. Hiberty, ChemPhysChem 2009, 10, 2658-2669.
-
(2009)
ChemPhysChem
, vol.10
, pp. 2658-2669
-
-
Shaik, S.1
Chen, Z.H.2
Wu, W.3
Stanger, A.4
Danovich, D.5
Hiberty, P.C.6
-
19
-
-
79958850000
-
-
S. Jenkins, S. R. Kirk, A. Guevara-García, P. W. Ayers, E. Echegaray, A. Toro-Labbe, Chem. Phys. Lett. 2011, 510, 18-20.
-
(2011)
Chem. Phys. Lett.
, vol.510
, pp. 18-20
-
-
Jenkins, S.1
Kirk, S.R.2
Guevara-García, A.3
Ayers, P.W.4
Echegaray, E.5
Toro-Labbe, A.6
-
27
-
-
84961983834
-
-
W. Wu, P. F. Su, S. Shaik, P. C. Hiberty, Chem. Rev. 2011, 111, 7557-7593.
-
(2011)
Chem. Rev.
, vol.111
, pp. 7557-7593
-
-
Wu, W.1
Su, P.F.2
Shaik, S.3
Hiberty, P.C.4
-
28
-
-
77955879914
-
-
J. S. M. Anderson, P. W. Ayers, J. I. Rodriguez Hernandez, J. Chem. Phys. A 2010, 114, 8884-8895.
-
(2010)
J. Chem. Phys. A
, vol.114
, pp. 8884-8895
-
-
Anderson, J.S.M.1
Ayers, P.W.2
Rodriguez Hernandez, J.I.3
-
33
-
-
84906089265
-
-
Vrije Universiteit, Theoretical Chemistry, Amsterdam, The Netherlands (accessed: 02-02-2014)
-
ADF2012.01, SCM Scientific Computing & Modelling NV, Vrije Universiteit, Theoretical Chemistry, Amsterdam, The Netherlands. http://www.scm.com (accessed: 02-02-2014)
-
ADF2012.01, SCM Scientific Computing & Modelling NV
-
-
-
34
-
-
20644438873
-
-
G. te Velde, F. M. Bickelhaupt, S. J. A. van Gisbergen, C. Fonseca Guerra, E. J. Baerends, J. G. Snijders, T. Ziegler, J. Comput. Chem. 2001, 22, 931-967.
-
(2001)
J. Comput. Chem.
, vol.22
, pp. 931-967
-
-
Te Velde, G.1
Bickelhaupt, F.M.2
Van Gisbergen, S.J.A.3
Guerra, C.F.4
Baerends, E.J.5
Snijders, J.G.6
Ziegler, T.7
-
36
-
-
84906096786
-
-
Jmol: an open-source Java viewer for chemical structures in 3D (accessed: 02.02.2014)
-
Jmol: an open-source Java viewer for chemical structures in 3D. http://www.jmol.org/(accessed: 02.02.2014).
-
-
-
-
37
-
-
0001233452
-
-
S. Shaik, P. Maitre, G. Sini, P. C. Hiberty, J. Am. Chem. Soc. 1992, 114, 7861-7866.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 7861-7866
-
-
Shaik, S.1
Maitre, P.2
Sini, G.3
Hiberty, P.C.4
-
39
-
-
33845379457
-
-
K. Semmler, G. Szeimies, J. Belzner, J. Am. Chem. Soc. 1985, 107, 6410-6411.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 6410-6411
-
-
Semmler, K.1
Szeimies, G.2
Belzner, J.3
-
41
-
-
0000741608
-
-
M. D. Levin, P. Kaszynski, J. Michl, Chem. Rev. 2000, 100, 169-234.
-
(2000)
Chem. Rev.
, vol.100
, pp. 169-234
-
-
Levin, M.D.1
Kaszynski, P.2
Michl, J.3
-
44
-
-
84868368492
-
-
H. Y. Xu, S. Saebo, C. U. Pittman, Mol. Phys. 2012, 110, 2349-2357.
-
(2012)
Mol. Phys.
, vol.110
, pp. 2349-2357
-
-
Xu, H.Y.1
Saebo, S.2
Pittman, C.U.3
-
45
-
-
0000769878
-
-
K. A. Nguyen, M. T. Carroll, M. S. Gordon, J. Am. Chem. Soc. 1991, 113, 7924-7929.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 7924-7929
-
-
Nguyen, K.A.1
Carroll, M.T.2
Gordon, M.S.3
-
46
-
-
27344442748
-
-
S. Shaik, D. Danovich, B. Silvi, D. L. Lauvergnat, P. C. Hiberty, Chem. Eur. J. 2005, 11, 6358-6371.
-
(2005)
Chem. Eur. J.
, vol.11
, pp. 6358-6371
-
-
Shaik, S.1
Danovich, D.2
Silvi, B.3
Lauvergnat, D.L.4
Hiberty, P.C.5
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