-
2
-
-
84985557614
-
-
Evans, D.A.; Chapman, K.T.; Hung, D.T.; Kawaguchi, A.T. Angew. Chem., Int. Ed. Engl. 1987, 26, 1184.
-
(1987)
Angew. Chem., Int. Ed. Engl.
, vol.26
, pp. 1184
-
-
Evans, D.A.1
Chapman, K.T.2
Hung, D.T.3
Kawaguchi, A.T.4
-
3
-
-
0023683023
-
-
Muehldorf, A.V.; Engen, D.V.; Warner, J.C.; Hamilton, A.D. J. Am. Chem. Soc. 1988, 110, 6561.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 6561
-
-
Muehldorf, A.V.1
Engen, D.V.2
Warner, J.C.3
Hamilton, A.D.4
-
5
-
-
0000213148
-
-
Hobza, P.; Selzle, H.L.; Schlag, E.W. Chem. Rev. 1994, 94, 1767.
-
(1994)
Chem. Rev.
, vol.94
, pp. 1767
-
-
Hobza, P.1
Selzle, H.L.2
Schlag, E.W.3
-
8
-
-
0001411265
-
-
Blundell, T.; Singh, J.; Thornton, J.; Burley, S.K.; Petsko, G.A. Science 1986, 234, 1005.
-
(1986)
Science
, vol.234
, pp. 1005
-
-
Blundell, T.1
Singh, J.2
Thornton, J.3
Burley, S.K.4
Petsko, G.A.5
-
9
-
-
0037721149
-
-
Hobza, P.; Selzle, H.L.; Schlag, E.W. J. Phys. Chem. 1996, 100, 18790.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 18790
-
-
Hobza, P.1
Selzle, H.L.2
Schlag, E.W.3
-
11
-
-
0030001537
-
-
Chipot, C.; Jaffe, R.; Maigret, B.; Pealman, D.A.; Kollman, P.A. J. Am. Chem. Soc. 1996, 118, 11217.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 11217
-
-
Chipot, C.1
Jaffe, R.2
Maigret, B.3
Pealman, D.A.4
Kollman, P.A.5
-
12
-
-
0025878347
-
-
Hunter, C.A.; Singh, J.; Thornton, J.M. J. Mol. Biol. 1991, 218, 837.
-
(1991)
J. Mol. Biol.
, vol.218
, pp. 837
-
-
Hunter, C.A.1
Singh, J.2
Thornton, J.M.3
-
13
-
-
0011117377
-
-
note
-
Toluene, in fact, like phenylalanine, has a small dipole moment which could be important in the balance of electrostatic and dispersive forces for the stabilization of the various competing structures, such as T-shaped or stacked.
-
-
-
-
15
-
-
0000206289
-
-
Ishikawa, S.; Ebata, T.; Ishikawa, H.; Inoue, T.; Mikami, N. J. Phys. Chem. 1996, 100, 10531.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 10531
-
-
Ishikawa, S.1
Ebata, T.2
Ishikawa, H.3
Inoue, T.4
Mikami, N.5
-
16
-
-
0034317690
-
-
Kim, K.S.; Tarakeshwar, P.; Lee, J.Y. Chem. Rep. 2000, 100, 4145.
-
(2000)
Chem. Rep.
, vol.100
, pp. 4145
-
-
Kim, K.S.1
Tarakeshwar, P.2
Lee, J.Y.3
-
19
-
-
0000259941
-
-
Kratochvil, M.; Engkvist, O.; Sponer, J.; Jungwirth, P.; Hobza, P. J. Phys. Chem. A 1998, 102, 6921.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 6921
-
-
Kratochvil, M.1
Engkvist, O.2
Sponer, J.3
Jungwirth, P.4
Hobza, P.5
-
20
-
-
0034639974
-
-
Kratochvil, M.; Sponer, J.; Hobza, P. J. Am. Chem. Soc. 2000, 122, 3495.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 3495
-
-
Kratochvil, M.1
Sponer, J.2
Hobza, P.3
-
21
-
-
0000596518
-
-
Gervasio, F.L.; Procacci, P.; Cardini, G.; Guarna, A.; Giolitti, A.; Schettino, V. J. Phys. Chem, B 2000, 104, 1108.
-
(2000)
J. Phys. Chem, B
, vol.104
, pp. 1108
-
-
Gervasio, F.L.1
Procacci, P.2
Cardini, G.3
Guarna, A.4
Giolitti, A.5
Schettino, V.6
-
22
-
-
0029011701
-
-
Cornell, W.D.; Cieplak, P.; Bayly, C.I.; Gould, I.R.; Metz, K.M., Jr.; Ferguson, D.M.; Spellmeyer, D.C.; Fox, T.; Caldwell, J.W.; Kollmann, P.A. J. Am. Chem. Soc. 1995, 117, 5179.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 5179
-
-
Cornell, W.D.1
Cieplak, P.2
Bayly, C.I.3
Gould, I.R.4
Metz K.M., Jr.5
Ferguson, D.M.6
Spellmeyer, D.C.7
Fox, T.8
Caldwell, J.W.9
Kollmann, P.A.10
-
23
-
-
3042524904
-
-
Bayly, C.I.; Cieplak, P.; Cornell, W.D.; Kollman, P.A. J. Phys. Chem. 1993, 97, 10269.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 10269
-
-
Bayly, C.I.1
Cieplak, P.2
Cornell, W.D.3
Kollman, P.A.4
-
25
-
-
0010262629
-
-
Procacci, P.; Darden, T.A.; Paci, E.; Marchi, M. J. Comput. Chem. 1997, 18, 1848.
-
(1997)
J. Comput. Chem.
, vol.18
, pp. 1848
-
-
Procacci, P.1
Darden, T.A.2
Paci, E.3
Marchi, M.4
-
27
-
-
0011147291
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note
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There is however a misprint in ref. 11: entries 2.33 kcal/mol in Table 2 and 1.95 kcal/mol in Table 3 should be interchanged.
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-
-
0004161838
-
-
Cambridge University Press: Cambridge, MA
-
Press, W.H.; Flannery, B.P.; Teukolsky, S.A.; Vetterling, W.T. Numerical Recipes; Cambridge University Press: Cambridge, MA, 1986.
-
(1986)
Numerical Recipes
-
-
Press, W.H.1
Flannery, B.P.2
Teukolsky, S.A.3
Vetterling, W.T.4
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29
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0011112610
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note
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The non monotonic behavior of the MP2 energy is due to the fact that the trajectory was not obtained by a full BSSE-corrected minimization but with au empirical potential.
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