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(a) All quantum mechanical calculations were performed with the GAUSSIAN 98 software package: Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K. D.; Malick, K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, Revision A.7; Gaussian, Inc.: Pittsburgh, PA, 1998.
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(1998)
Gaussian 98, Revision A.7
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Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery J.A., Jr.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.D.29
Malick, K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Baboul, A.G.36
Stefanov, B.B.37
Liu, G.38
Liashenko, A.39
Piskorz, P.40
Komaromi, I.41
Gomperts, R.42
Martin, R.L.43
Fox, D.J.44
Keith, T.45
Al-Laham, M.A.46
Peng, C.Y.47
Nanayakkara, A.48
Gonzalez, C.49
Challacombe, M.50
Gill, P.M.W.51
Johnson, B.52
Chen, W.53
Wong, M.W.54
Andres, J.L.55
Gonzalez, C.56
Head-Gordon, M.57
Replogle, E.S.58
Pople, J.A.59
more..
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40
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0043229764
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note
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(b). MP2 calculations were carried out with the default "frozen-core" option.
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41
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0026072325
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(a) Philp, D.; Slawin, A. M. Z.; Spencer, N.; Stoddart, J. F.; Williams, D. J. J. Chem. Soc., Chem. Commun. 1991, 1584-1586.
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J. Chem. Soc., Chem. Commun.
, pp. 1584-1586
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Philp, D.1
Slawin, A.M.Z.2
Spencer, N.3
Stoddart, J.F.4
Williams, D.J.5
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42
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33748242572
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(b) Anelli, P. L.; Ashton, P. R.; Spencer, N.; Slawin, A. M. Z.; Stoddart, J. F.; Williams, D. J. Angew. Chem., Int. Ed. Engl. 1991, 30, 1036-1039.
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Angew. Chem., Int. Ed. Engl.
, vol.30
, pp. 1036-1039
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Anelli, P.L.1
Ashton, P.R.2
Spencer, N.3
Slawin, A.M.Z.4
Stoddart, J.F.5
Williams, D.J.6
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43
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1242280982
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(c) Anelli, P. L.; Ashton, P. R.; Ballardini, R.; Balzani, V.; Delgado, M.; Gandolfi, M. T.; Goodnow, T. T.; Kaiser, A. E.; Philp, D.; Pietraszkiewicz, M.; Prodi, L.; Reddington, M. V.; Slawin, A. M. Z.; Spencer, N.; Stoddart, J. F.; Vicent, C.; Williams, D. J. J. Am. Chem. Soc. 1992, 114, 193-218.
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J. Am. Chem. Soc.
, vol.114
, pp. 193-218
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Anelli, P.L.1
Ashton, P.R.2
Ballardini, R.3
Balzani, V.4
Delgado, M.5
Gandolfi, M.T.6
Goodnow, T.T.7
Kaiser, A.E.8
Philp, D.9
Pietraszkiewicz, M.10
Prodi, L.11
Reddington, M.V.12
Slawin, A.M.Z.13
Spencer, N.14
Stoddart, J.F.15
Vicent, C.16
Williams, D.J.17
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44
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0037063502
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Sinnokrot, M. O.; Valeev, E. F.; Sherrill, C. D. J. Am. Chem. Soc. 2002, 124, 10887-10893.
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Sinnokrot, M.O.1
Valeev, E.F.2
Sherrill, C.D.3
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46
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0043229763
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Lipkowitz, K. B., Boyd, D. B., Eds.; VCH: New York, Chapter 7
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Electrostatic potential was calculated at a distance of 1.75 A from the center of mass of the guest in the direction perpendicular to the average molecular plane, as suggested in: Politzer, P.; Murray, J. S. Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH: New York, 1991; Vol. 2, Chapter 7.
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(1991)
Computational Chemistry
, vol.2
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Politzer, P.1
Murray, J.S.2
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48
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0000110161
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Raymo, F. M.; Houk, K. N.; Stoddart, J. F. J. Org. Chem. 1998, 63, 6523-6528.
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Raymo, F.M.1
Houk, K.N.2
Stoddart, J.F.3
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49
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4243312996
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Krause, H.; Ernstberger, B.; Neusser, H. J. Chem. Phys. Lett. 1991, 184, 411.
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, pp. 411
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Krause, H.1
Ernstberger, B.2
Neusser, H.3
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50
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0041727277
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note
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-1).
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51
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0000011260
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Córdova, E.; Bissell, R. A.; Spencer, N.; Ashton, P. R.; Stoddart, J. F.; Kaiser, A. E. J. Org. Chem. 1993, 58, 6550.
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Córdova, E.1
Bissell, R.A.2
Spencer, N.3
Ashton, P.R.4
Stoddart, J.F.5
Kaiser, A.E.6
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52
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0033612015
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Ashton, P. R.; Balzani, V.; Becher, J.; Credi, A.; Fyfe, M. C. T.; Mattersteig, G.; Menzer, S.; Nielsen, M. B.; Raymo, F. M.; Stoddart, J. F.; Venturi, M.; Williams, D. J. J. Am. Chem. Soc. 1999, 121, 3951-3957.
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Ashton, P.R.1
Balzani, V.2
Becher, J.3
Credi, A.4
Fyfe, M.C.T.5
Mattersteig, G.6
Menzer, S.7
Nielsen, M.B.8
Raymo, F.M.9
Stoddart, J.F.10
Venturi, M.11
Williams, D.J.12
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