-
3
-
-
0009706889
-
-
(a) Luo, Y.; Norman, P.; Ågren, H. J. Chem. Phys. 1998, 709,3589.
-
(1998)
Chem. Phys.
, vol.709
, pp. 3589
-
-
Luo, Y.1
Norman, P.2
Ågren, H.J.3
-
4
-
-
0001387896
-
-
(b) Macak, P.; Norman, P.; Luo, Y.; Ågren, H. J. Chem. Phys. 2000, 112, 1868.
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 1868
-
-
Macak, P.1
Norman, P.2
Luo, Y.3
Ågren, H.4
-
5
-
-
0033722017
-
-
Cammi, R.; Mennucci, B.; Tomasi, J. J. Phys. Chem. A 2000,104, 4690.
-
(2000)
J. Phys. Chem. a
, vol.104
, pp. 4690
-
-
Cammi, R.1
Mennucci, B.2
Tomasi, J.3
-
6
-
-
0031698257
-
-
Cammi, R.; Mennucci, B.; Tomasi, J. J. Phys. Chem. A 1998,102, 870.
-
(1998)
J. Phys. Chem. a
, vol.102
, pp. 870
-
-
Cammi, R.1
Mennucci, B.2
Tomasi, J.3
-
19
-
-
0001256149
-
-
(b) Cancès, E.; Mennucci, B.; Tomasi, J. J. Chem. Phys. 1997, 707, 3031.
-
(1997)
J. Chem. Phys.
, vol.707
, pp. 3031
-
-
Cancès, E.1
Mennucci, B.2
Tomasi, J.3
-
20
-
-
0031553301
-
-
(c) Mennucci, B.; Cancès, E.; Tomasi, J. J. Phys. Chem. B 1997,101, 10506.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 10506
-
-
Mennucci, B.1
Cancès, E.2
Tomasi, J.3
-
21
-
-
84962408725
-
-
(d) Mennucci, B.; Cammi, R.; Tomasi, J. J. Chem. Phys. 1998,109, 2798.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 2798
-
-
Mennucci, B.1
Cammi, R.2
Tomasi, J.3
-
23
-
-
84961983840
-
-
(b) Olivares del Valle, F. J.; Aguilar, M.; Tolosa, S.; Contador, J. C.; Tomasi, J. Chem. Phys. 1990, 143, 371.
-
(1990)
Chem. Phys.
, vol.143
, pp. 371
-
-
Olivares Del Valle, F.J.1
Aguilar, M.2
Tolosa, S.3
Contador, J.C.4
Tomasi, J.5
-
28
-
-
84961983562
-
-
Mennucci, B.; Cammi, R.; Tomasi, J. J. Chem. Phys. 1999, 110, 6858.
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 6858
-
-
Mennucci, B.1
Cammi, R.2
Tomasi, J.3
-
30
-
-
84962408617
-
-
We note, however, that in some applications numerical differences between the D-PCM and the IEF-PCM results can exist. See for example: Cossi, M.; Mennucci, B.; Pitarch, J.; Tomasi, J. J. Comput. Chem. 1998, 19, 833.
-
(1998)
J. Comput. Chem.
, vol.19
, pp. 833
-
-
Cossi, M.1
Mennucci, B.2
Pitarch, J.3
Tomasi, J.4
-
32
-
-
0003912310
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A.; 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, C. S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Baboul, A. G.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, C. 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, C. M. W.; Andres, J. L.; Head-Gordon, M.; Replogle E. S.; Pople, J. A. Gaussian 99, Development Version. (Revision A.10), Gaussian, Inc.: Pittsburgh, PA, 1999.
-
(1999)
Gaussian 99, Development Version. (Revision A.10)
-
-
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.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, C.S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Ortiz, J.V.34
Baboul, A.G.35
Cioslowski, J.36
Stefanov, B.B.37
Liu, G.38
Liashenko, C.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, C.M.W.54
Andres, J.L.55
Head-Gordon, M.56
Replogle, E.S.57
Pople, J.A.58
more..
-
33
-
-
0001615842
-
-
Redondo, M. L; Garcia, M. V.; Morcillo, J. J. Mol. Struct. 1988, 175, 313.
-
(1988)
J. Mol. Struct.
, vol.175
, pp. 313
-
-
Redondo, M.L.1
Garcia, M.V.2
Morcillo, J.3
-
34
-
-
0000623123
-
-
Bertie, J. E.; Zhang, S. L.; Eysel, H. H.; Baluja, S.; Ahmed, M. K. Appl. Spectrosc. 1993, 47, 1100.
-
(1993)
Appl. Spectrosc.
, vol.47
, pp. 1100
-
-
Bertie, J.E.1
Zhang, S.L.2
Eysel, H.H.3
Baluja, S.4
Ahmed, M.K.5
-
35
-
-
85037301103
-
-
in press
-
Cappelli, C.; Comi, S.; Cammi, R.; Mennucci, B.; Tomasi, J. J. Chem. Phys., in press.
-
J. Chem. Phys.
-
-
Cappelli, C.1
Comi, S.2
Cammi, R.3
Mennucci, B.4
Tomasi, J.5
-
36
-
-
84962433314
-
-
Bianco, R.; Miertus, S.; Persico, M.; Tomasi, J. Chem. Phys. 1992, 168, 281.
-
(1992)
Chem. Phys.
, vol.168
, pp. 281
-
-
Bianco, R.1
Miertus, S.2
Persico, M.3
Tomasi, J.4
|