-
1
-
-
0039821185
-
-
Guilman, A. G., Rail, T. W., Nies, A. S., Taylor, P., Eds; Pergamon Press: New York
-
The Pharmacological Basis of Therapeutics, 8th ed.; Guilman, A. G., Rail, T. W., Nies, A. S., Taylor, P., Eds; Pergamon Press: New York, 1990.
-
(1990)
The Pharmacological Basis of Therapeutics, 8th Ed.
-
-
-
2
-
-
0003189854
-
-
Otto Salle, Ed.; Verlag: Frankfurt, Germany
-
Christen, H. R.; Vogtle, F. Organische Chemie-Von den Grundlagen zur Forschung; Otto Salle, Ed.; Verlag: Frankfurt, Germany, 1988; Vol. 1, p 419.
-
(1988)
Organische Chemie-Von Den Grundlagen Zur Forschung
, vol.1
, pp. 419
-
-
Christen, H.R.1
Vogtle, F.2
-
7
-
-
0010430275
-
-
Chen, F., Schiiiirmann, G., Eds.; SETAC Press: Pensacola, FL
-
Schüürmann, G. Quantitative Structure-Activity Relationships in Environmental Sciences', Chen, F., Schiiiirmann, G., Eds.; SETAC Press: Pensacola, FL, 1997; Vol VII, p 225.
-
(1997)
Quantitative Structure-Activity Relationships in Environmental Sciences'
, vol.7
, pp. 225
-
-
Schüürmann, G.1
-
9
-
-
33751500123
-
-
(a) Lim, C.; Bashford, D.; Karplus, M. J. Phys. Chem. 1991, 95, 5610.
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 5610
-
-
Lim, C.1
Bashford, D.2
Karplus, M.3
-
10
-
-
84962440579
-
-
(b) Richardson, W. H.; Peng, C.; Bashford, D.; Noodleman, L.; Case, D. A. Int. J. Quantum Chem. 1997, 61, 207.
-
(1997)
Int. J. Quantum Chem.
, vol.61
, pp. 207
-
-
Richardson, W.H.1
Peng, C.2
Bashford, D.3
Noodleman, L.4
Case, D.A.5
-
11
-
-
0031251244
-
-
Li, G. S.; Ruiz-Lópes, M. F.; Maigret, B. J. Phys. Chem A 1997, 101, 7885.
-
(1997)
J. Phys. Chem A
, vol.101
, pp. 7885
-
-
Li, G.S.1
Ruiz-Lópes, M.F.2
Maigret, B.3
-
12
-
-
84961976147
-
-
Andzelm, J.; Kölmel, C.; Klamt, A. J. Chem. Phys. 1995,103,9312.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 9312
-
-
Andzelm, J.1
Kölmel, C.2
Klamt, A.3
-
13
-
-
84961981283
-
-
Schüürmann, G.; Cossi, M.; Barone, V.; Tomasi, J. /. Phys. Chcm. A 1998, 702, 6706.
-
(1998)
Phys. Chcm. A
, vol.702
, pp. 6706
-
-
Schüürmann, G.1
Cossi, M.2
Barone, V.3
Tomasi, J.4
-
14
-
-
0000383492
-
-
Reeve, W.; Erikson, C. M.; Aluotto, P. F. Can. J. Chem. 1979,57, 2747.
-
(1979)
Can. J. Chem.
, vol.57
, pp. 2747
-
-
Reeve, W.1
Erikson, C.M.2
Aluotto, P.F.3
-
17
-
-
0002618632
-
-
Siggel, M. R. F.; Thomas, D. T.; Saethre, L. L J. Am. Chem. Soc. 1988, 110, 91.
-
(1988)
L J. Am. Chem. Soc.
, vol.110
, pp. 91
-
-
Siggel, M.R.F.1
Thomas, D.T.2
Saethre, L.3
-
18
-
-
33845376022
-
-
Gao, J.; Garner, D. S.; Jorgensen, W. L. J. Am. Chem. Soc. 1986, 70S, 4784.
-
(1986)
J. Am. Chem. Soc.
, vol.70
, pp. 4784
-
-
Gao, J.1
Garner, D.S.2
Jorgensen, W.L.3
-
25
-
-
84962359221
-
-
Cossi, M.; Barone, V.; Cammi, R.; Tomasi, J. Chem. Phys. Lett. 1996, 255, 327.
-
(1996)
Chem. Phys. Lett.
, vol.255
, pp. 327
-
-
Cossi, M.1
Barone, V.2
Cammi, R.3
Tomasi, J.4
-
26
-
-
84946893847
-
-
Miertus, S.; Scrocco, E.; Tomasi, J. Chem. Phys. 1981, 55, 117.
-
(1981)
Chem. Phys.
, vol.55
, pp. 117
-
-
Miertus, S.1
Scrocco, E.2
Tomasi, J.3
-
28
-
-
0010922186
-
-
Gaussian, Inc.: Pittsburgh, PA, I995
-
Gaussian 94 (Revision E.2) Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T. A.; Petetsson, G. A.; Montgomery, J. A.; Raghavachari, K.; AlLaham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian, Inc.: Pittsburgh, PA, I995.
-
Gaussian 94 (Revision E.2)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.A.8
Petetsson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Allaham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
30
-
-
84962430704
-
-
Cossi, M.; Mennucci, B.; Cammi, R. J. Commit. Chem. 1996, 17, 57.
-
(1996)
J. Commit. Chem.
, vol.17
, pp. 57
-
-
Cossi, M.1
Mennucci, B.2
Cammi, R.3
-
31
-
-
84962428785
-
-
Barone, V.; Cossi, M.; Tomasi, J. J. Comput. Chem. 1998, 79,404.
-
(1998)
J. Comput. Chem.
, vol.79
, pp. 404
-
-
Barone, V.1
Cossi, M.2
Tomasi, J.3
-
32
-
-
84962448665
-
-
POLYGRAF v 3.2.1, Molecular Simulation Inc., 1992
-
POLYGRAF v 3.2.1, Molecular Simulation Inc., 1992.
-
-
-
-
33
-
-
36449002507
-
-
Curtis, L. A.; Raghavachari, K.; Pople, J. A. J. Chem. Phys. 1993, 98, 1293.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1293
-
-
Curtis, L.A.1
Raghavachari, K.2
Pople, J.A.3
-
35
-
-
0001339972
-
-
Adamo, C.; Cossi, M.; Barone, V. J. Comput. Chem. 1997, 75, 1993.
-
(1997)
J. Comput. Chem.
, vol.75
, pp. 1993
-
-
Adamo, C.1
Cossi, M.2
Barone, V.3
-
37
-
-
84962408617
-
-
Cossi, M.; Mennucci, B.; Pitarch, J.; Tomasi, J. J. Comput. Chem. 1998, 79, 833.
-
(1998)
J. Comput. Chem.
, vol.79
, pp. 833
-
-
Cossi, M.1
Mennucci, B.2
Pitarch, J.3
Tomasi, J.4
-
38
-
-
0031209054
-
-
Cancès, E.; Mennucci, B.; Tomasi, J. J. Chem. Phys. 1997, 707, 3032.
-
(1997)
J. Chem. Phys.
, vol.707
, pp. 3032
-
-
Cancès, E.1
Mennucci, B.2
Tomasi, J.3
-
39
-
-
84962444470
-
-
personal communication
-
Mennucci, B., personal communication.
-
-
-
Mennucci, B.1
-
41
-
-
84961981991
-
-
Barone, V.; Cossi, M.; Tomasi, J. J. Chem. Phys. 1997, 707, 3210.
-
(1997)
J. Chem. Phys.
, vol.707
, pp. 3210
-
-
Barone, V.1
Cossi, M.2
Tomasi, J.3
-
42
-
-
84962410147
-
-
note
-
The molecular cavities in Figure 3 were obtained using the program GEOMVIEW vl.6.1 (Software Development Group, Geometry Center, 1300 South 2nd St, Suite 500, Minneapolis, MN 55454, USA). The interface GEOMVIEW/GAUSSIAN94 was written by C. Pommeli.
-
-
-
-
43
-
-
10644221475
-
-
Cabani, S.; Gianni, P.; Mollica, V.; Lepori, L. J. Sol. Chem. 1981, 70, 563.
-
(1981)
J. Sol. Chem.
, vol.70
, pp. 563
-
-
Cabani, S.1
Gianni, P.2
Mollica, V.3
Lepori, L.4
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