-
1
-
-
26944481188
-
-
D. Chandler, Nature 2005, 437, 640.
-
(2005)
Nature
, vol.437
, pp. 640
-
-
Chandler, D.1
-
2
-
-
0038525489
-
-
P. Kruss, E. R. Johnson, G. A. DiLabio, R. A. Wolkow, Nano Lett. 2002, 2, 807.
-
(2002)
Nano Lett.
, vol.2
, pp. 807
-
-
Kruss, P.1
Johnson, E.R.2
Dilabio, G.A.3
Wolkow, R.A.4
-
5
-
-
33847207462
-
-
S. Grimme, J. Antony, T. Schwabe, C. Mück-Lichtenfeld, Org. Biomol. Chem. 2007, 5, 741.
-
(2007)
Org. Biomol. Chem.
, vol.5
, pp. 741
-
-
Grimme, S.1
Antony, J.2
Schwabe, T.3
Mück-Lichtenfeld, C.4
-
8
-
-
33644897568
-
-
M. Waller, A. Robertazzi, J. A. Platts, D. E. Hibbs, P. A. Williams, J. Comput. Chem. 2006, 27, 491.
-
(2006)
J. Comput. Chem.
, vol.27
, pp. 491
-
-
Waller, M.1
Robertazzi, A.2
Platts, J.A.3
Hibbs, D.E.4
Williams, P.A.5
-
9
-
-
77952032315
-
-
E. R. Johnson, S. Kenian, P. Mori-Sánchez, J. Contreras- García, A. J. Cohen, W. Yang, J. Am. Chem. Soc. 2010, 132, 6498.
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 6498
-
-
Johnson, E.R.1
Kenian, S.2
Mori-Sánchez, P.3
Contreras-García, J.4
Cohen, A.J.5
Yang, W.6
-
10
-
-
79952583698
-
-
J. Contreras-García, E. R. Johnson, S. Keinan, R. Chaudret, J.-P. Piquemal, D. N. Beratan, W. Yang, J. Chem. Theory Comput. 2011, 7, 625.
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 625
-
-
Contreras-García, J.1
Johnson, E.R.2
Keinan, S.3
Chaudret, R.4
Piquemal, J.-P.5
Beratan, D.N.6
Yang, W.7
-
15
-
-
33746904710
-
-
A. E. Whitten, P. Turner, W. T. Klooster, R. O. Piltz, M. A. Spackman, J. Phys. Chem. A 2006, 110, 8763.
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 8763
-
-
Whitten, A.E.1
Turner, P.2
Klooster, W.T.3
Piltz, R.O.4
Spackman, M.A.5
-
16
-
-
0001638907
-
-
S. T. Howard, M. B. Hursthouse, C. W. Lehmann, P. R. Mallinson, C. S. Frampton, J. Chem. Phys. 1992, 97, 5616.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 5616
-
-
Howard, S.T.1
Hursthouse, M.B.2
Lehmann, C.W.3
Mallinson, P.R.4
Frampton, C.S.5
-
17
-
-
18144385154
-
-
D. E. Hibbs, S. T. Howard, J. P. Huke, M. P. Waller, Phys. Chem. Chem. Phys. 2005, 7, 1772.
-
(2005)
Phys. Chem. Chem. Phys.
, vol.7
, pp. 1772
-
-
Hibbs, D.E.1
Howard, S.T.2
Huke, J.P.3
Waller, M.P.4
-
19
-
-
33750018042
-
-
M. P. Waller, S. T. Howard, J. A. Platts, R. O. Piltz, D. J. Willock, D. E. Hibbs, Chem. Eur. J. 2006, 12, 7603.
-
(2006)
Chem. Eur. J.
, vol.12
, pp. 7603
-
-
Waller, M.P.1
Howard, S.T.2
Platts, J.A.3
Piltz, R.O.4
Willock, D.J.5
Hibbs, D.E.6
-
20
-
-
0037416776
-
-
D. E. Hibbs, C. J. Austin-Wood, J. Platts, J. Overgaard, P. Turner, Chem. Eur. J. 2003, 9, 1075.
-
(2003)
Chem. Eur. J.
, vol.9
, pp. 1075
-
-
Hibbs, D.E.1
Austin-Wood, C.J.2
Platts, J.3
Overgaard, J.4
Turner, P.5
-
21
-
-
0038626673
-
-
Gaussian, Inc.: Wallingford, CT.
-
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; Gaussian, Inc.: Wallingford, CT, 2004.
-
(2004)
Gaussian 03
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery Jr., J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.W.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, A.G.62
Clifford, S.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.66
Liashenko, A.67
Piskorz, P.68
Komaromi, I.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al-Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, P.M.W.77
Johnson, B.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
Pople, J.A.82
more..
-
24
-
-
84873481649
-
-
E. Prince, Ed. John Wiley and Sons, London. C, p.
-
E. Prince, Ed. International Union for Crystallography, John Wiley and Sons, London. Vol. C, 2005, p. 255.
-
(2005)
International Union for Crystallography
, pp. 255
-
-
-
25
-
-
84865211311
-
-
A. Otero-de-la-Roza, E. R. Johnson, J. Contreras-García, Phys. Chem. Chem. Phys. 2012, 14, 12165.
-
(2012)
J. Contreras-García, Phys. Chem. Chem. Phys.
, vol.14
, pp. 12165
-
-
Otero-De-La-Roza, A.1
Johnson, E.R.2
|