-
3
-
-
0030024502
-
-
Baldwin, J. E.; Adlington, R. M.; Marquess, D. G.; Pitt, A. R.; Porter, M. J.; Russell, A. T. Tetrahedron 1996, 52, 2515; 2537.
-
(1996)
Tetrahedron
, vol.52
, pp. 2515
-
-
Baldwin, J.E.1
Adlington, R.M.2
Marquess, D.G.3
Pitt, A.R.4
Porter, M.J.5
Russell, A.T.6
-
4
-
-
0342514944
-
-
Baldwin, J. E.; Addlington, R. M.; Lajoie, G. A.; Lowe, C.; Baird, P. D.; Prout, K. J. Chem. Soc., Chem. Commun. 1988, 775.
-
(1988)
J. Chem. Soc., Chem. Commun.
, pp. 775
-
-
Baldwin, J.E.1
Addlington, R.M.2
Lajoie, G.A.3
Lowe, C.4
Baird, P.D.5
Prout, K.6
-
8
-
-
0028863703
-
-
Yu, D.; Rauk, A.; Armstrong, D. A. J. Am. Chem. Soc. 1995, 117, 1789.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 1789
-
-
Yu, D.1
Rauk, A.2
Armstrong, D.A.3
-
9
-
-
0031042252
-
-
Rauk, A.; Yu, D.; Armstrong, D. A. J. Am. Chem. Soc. 1997, 119, 208.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 208
-
-
Rauk, A.1
Yu, D.2
Armstrong, D.A.3
-
10
-
-
0028793935
-
-
Barone, V.; Adamo, C.; Grand, A.; Brunel, Y.; Fontecave, M.; Subra, R. J. Am. Chem. Soc. 1995, 117, 1083.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 1083
-
-
Barone, V.1
Adamo, C.2
Grand, A.3
Brunel, Y.4
Fontecave, M.5
Subra, R.6
-
11
-
-
2642606946
-
-
Barone, V.; Adamo, C.; Grand, A.; Subra, R. Chem. Phys. Lett. 1995, 242, 35.
-
(1995)
Chem. Phys. Lett.
, vol.242
, pp. 35
-
-
Barone, V.1
Adamo, C.2
Grand, A.3
Subra, R.4
-
12
-
-
0029555012
-
-
Barone, V.; Adamo, C.; Grand, A.; Jolibois, F.; Brunel, Y.; Subra, R. J. Am. Chem. Soc. 1995, 117, 12618.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 12618
-
-
Barone, V.1
Adamo, C.2
Grand, A.3
Jolibois, F.4
Brunel, Y.5
Subra, R.6
-
13
-
-
0009780459
-
-
Barone, V.; Capecchi, G.; Brunel, Y.; Dheu Andries, M. L.; Subra, R. J. Comput. Chem. 1997, 14, 1720.
-
(1997)
J. Comput. Chem.
, vol.14
, pp. 1720
-
-
Barone, V.1
Capecchi, G.2
Brunel, Y.3
Dheu Andries, M.L.4
Subra, R.5
-
14
-
-
37049070254
-
-
Armstrong, D. A.; Rauk, A.; Yu, D. J. Chem. Soc., Perkin Trans. 2 1995, 553.
-
(1995)
J. Chem. Soc., Perkin Trans.
, vol.2
, pp. 553
-
-
Armstrong, D.A.1
Rauk, A.2
Yu, D.3
-
21
-
-
17344373661
-
-
Chong, D. P., Ed., World Scientific: Singapore
-
Barone, V. In Recent Advances in Density Functional Methods: Chong, D. P., Ed., World Scientific: Singapore, 1996; Part 1.
-
(1996)
Recent Advances in Density Functional Methods
, Issue.PART 1
-
-
Barone, V.1
-
22
-
-
0000979648
-
-
Rega, N.; Cossi, M.; Barone, V. J. Chem. Phys. 1996, 105, 11060.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 11060
-
-
Rega, N.1
Cossi, M.2
Barone, V.3
-
24
-
-
84962361099
-
-
Rega, N.; Cossi, M.; Barone, V. J. Am. Chem. Soc. 1997, 119,12962.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 12962
-
-
Rega, N.1
Cossi, M.2
Barone, V.3
-
25
-
-
17344367284
-
-
in press
-
Jolibois, F.; Cadet, J.; Grand, A.; Rega, N.; Subra, R.; Barone, V. J. Am. Chem. Soc., in press.
-
J. Am. Chem. Soc.
-
-
Jolibois, F.1
Cadet, J.2
Grand, A.3
Rega, N.4
Subra, R.5
Barone, V.6
-
26
-
-
0004133516
-
-
Gaussian. Inc., Pittsburgh, PA
-
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.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, 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 94, Gaussian. Inc., Pittsburgh, PA, 1995.
-
(1995)
GAUSSIAN 94
-
-
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
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, 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..
-
29
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. 1988, B37, 785.
-
(1988)
Phys. Rev.
, vol.B37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
32
-
-
0001945238
-
-
Chipman, D. M. Theor. Chim. Acta 1989, 76, 73; J. Chem. Phys. 1989, 54, 55.
-
(1989)
J. Chem. Phys.
, vol.54
, pp. 55
-
-
-
36
-
-
36749120357
-
-
Miller, W. H.; Handy, N. C. : Adams, J. E. J. Chem. Phys. 1980, 72, 99-112.
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 99-112
-
-
Miller, W.H.1
Handy, N.C.2
Adams, J.E.3
-
39
-
-
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
-
40
-
-
0000290368
-
-
Barone, V.; Cossi, M.; Tomasi, J. J. Comput. Chem. 1998, 19, 407.
-
(1998)
J. Comput. Chem.
, vol.19
, pp. 407
-
-
Barone, V.1
Cossi, M.2
Tomasi, J.3
-
42
-
-
84961981991
-
-
Barone, V.; Cossi, M.; Tomasi, J. J. Chem. Phys. 1997, 107, 3210.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 3210
-
-
Barone, V.1
Cossi, M.2
Tomasi, J.3
-
45
-
-
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
-
50
-
-
36449000071
-
-
Barone, V.; Adamo, C.; Lelj, F. J. Chem. Phys. 1995, 102, 364.
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 364
-
-
Barone, V.1
Adamo, C.2
Lelj, F.3
-
52
-
-
0001755903
-
-
Yu, D.; Armstrong, D. A.; Rauk, A. Can. J. Chem. 1992, 70, 1762.
-
(1992)
Can. J. Chem.
, vol.70
, pp. 1762
-
-
Yu, D.1
Armstrong, D.A.2
Rauk, A.3
-
53
-
-
0000231344
-
-
Barone, V.; Adamo, C.; Grand, A.; Subra, R. Chem. Phys. Lett. 1995, 242, 351.
-
(1995)
Chem. Phys. Lett.
, vol.242
, pp. 351
-
-
Barone, V.1
Adamo, C.2
Grand, A.3
Subra, R.4
-
55
-
-
0000978624
-
-
Barone, V.; Adamo, C.; Brunel, Y.; Subra, R. J. Chem. Phys. 1996, 105, 3168.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 3168
-
-
Barone, V.1
Adamo, C.2
Brunel, Y.3
Subra, R.4
-
57
-
-
0029011701
-
-
Cornell, W. D.; Cieplak, P.; Bayly, C. I.; Gould, I. R.; Merz, K. M., Jr.; Ferguson, D. M.; Sellmeyer, D. C.; Fox, T.; Caldwell, J. W.; Kollman, 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
Merz Jr., K.M.5
Ferguson, D.M.6
Sellmeyer, D.C.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.A.10
-
59
-
-
37049084648
-
-
Cristinziano, P. L.; Lelj, F.; Amodeo, P.; Barone, G.; Barone, V. J. Chem. Soc., Faraday Trans. 1 1989, 85, 621.
-
(1989)
J. Chem. Soc., Faraday Trans. 1
, vol.85
, pp. 621
-
-
Cristinziano, P.L.1
Lelj, F.2
Amodeo, P.3
Barone, G.4
Barone, V.5
-
60
-
-
0004205004
-
-
Chong, D. P., Ed.; World Scientific: Singapore
-
Adamo, C.; Barone, V. In Recent Advances in Density Functional Methods; Chong, D. P., Ed.; World Scientific: Singapore, 1997; Part 2.
-
(1997)
Recent Advances in Density Functional Methods
, Issue.PART 2
-
-
Adamo, C.1
Barone, V.2
|