-
2
-
-
84986376826
-
-
R. Köppe, H. Schnöckel, C. Jouany, F. X. Gadea, and J. C. Barthelat, Heteroatom Chem., 3, 333 (1992).
-
(1992)
Heteroatom Chem.
, vol.3
, pp. 333
-
-
Köppe, R.1
Schnöckel, H.2
Jouany, C.3
Gadea, F.X.4
Barthelat, J.C.5
-
3
-
-
33748238817
-
-
T. Mehner, R. Köppe, and H. Schnöckel, Angew. Chem. Int. Ed. Engl., 31, 638 (1992).
-
(1992)
Angew. Chem. Int. Ed. Engl.
, vol.31
, pp. 638
-
-
Mehner, T.1
Köppe, R.2
Schnöckel, H.3
-
4
-
-
33845182873
-
-
H. Schnöckel, T. Mehner, H. S. Plitt, and S. Schunck, J. Am. Chem. Soc., 111, 4578 (1989).
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 4578
-
-
Schnöckel, H.1
Mehner, T.2
Plitt, H.S.3
Schunck, S.4
-
5
-
-
37049067995
-
-
T. Mehner, H. Schnöckel, M. J. Almond, and A. J. Downs, J. Chem. Soc. Chem. Commun., 117 (1988).
-
(1988)
J. Chem. Soc. Chem. Commun.
, pp. 117
-
-
Mehner, T.1
Schnöckel, H.2
Almond, M.J.3
Downs, A.J.4
-
7
-
-
37049085956
-
-
J. H. B. Chenier, J. A. Howard, H. A. Joly, B. Mile, and P. L. Timms, J. Chem. Soc. Chem. Commun., 581 (1990).
-
(1990)
J. Chem. Soc. Chem. Commun.
, pp. 581
-
-
Chenier, J.H.B.1
Howard, J.A.2
Joly, H.A.3
Mile, B.4
Timms, P.L.5
-
10
-
-
0031570129
-
-
B. Tremblay, M. E. Alikhani, and L. Manceron, Chem. Phys., 218, 37 (1997).
-
(1997)
Chem. Phys.
, vol.218
, pp. 37
-
-
Tremblay, B.1
Alikhani, M.E.2
Manceron, L.3
-
11
-
-
0001410578
-
-
B. Tremblay, P. Roy, L. Manceron, M. E. Alikhani, and D. Roy, J. Chem. Phys., 104, 2773 (1996).
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 2773
-
-
Tremblay, B.1
Roy, P.2
Manceron, L.3
Alikhani, M.E.4
Roy, D.5
-
14
-
-
0011757861
-
-
M. E. Alikhani, B. Tremblay, and L. Manceron, J. Mol. Struct. (Theochem), 394, 25 (1997).
-
(1997)
J. Mol. Struct. (Theochem)
, vol.394
, pp. 25
-
-
Alikhani, M.E.1
Tremblay, B.2
Manceron, L.3
-
18
-
-
0011083499
-
-
A. E. Reed, L. A. Curtiss, and F. Weinhold, Chem. Rev., 88, 899 (1988).
-
(1988)
Chem. Rev.
, vol.88
, pp. 899
-
-
Reed, A.E.1
Curtiss, L.A.2
Weinhold, F.3
-
20
-
-
0010922186
-
-
Gaussian, Inc., Pittsburgh, PA
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, Gaussian-94 (revision D.4), Gaussian, Inc., Pittsburgh, PA, 1995.
-
(1995)
Gaussian-94 (Revision D.4)
-
-
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.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..
-
22
-
-
0345491105
-
-
C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B, 37, 785 (1988).
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
23
-
-
26844534384
-
-
R. Krishnan, J. S. Binkley, R. Seeger, and J. A. Pople, J. Chem. Phys., 72, 650 (1980); A. D. McLean and G. S. Chandler, J. Chem. Phys., 72, 5639 (1980).
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 650
-
-
Krishnan, R.1
Binkley, J.S.2
Seeger, R.3
Pople, J.A.4
-
24
-
-
0141509423
-
-
R. Krishnan, J. S. Binkley, R. Seeger, and J. A. Pople, J. Chem. Phys., 72, 650 (1980); A. D. McLean and G. S. Chandler, J. Chem. Phys., 72, 5639 (1980).
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 5639
-
-
McLean, A.D.1
Chandler, G.S.2
-
25
-
-
84931485363
-
-
G. Igel-Mann, H. Stoll, and H. Preuss, Mol. Phys., 65, 1321 (1988).
-
(1988)
Mol. Phys.
, vol.65
, pp. 1321
-
-
Igel-Mann, G.1
Stoll, H.2
Preuss, H.3
-
26
-
-
85034308338
-
-
S. Noury, X. Krokodis, F. Fuster, and B. Silvi. To obtain the TopMoD package contact: Bernard.Silvi@lct.jussieu.fr
-
S. Noury, X. Krokodis, F. Fuster, and B. Silvi. To obtain the TopMoD package contact: Bernard.Silvi@lct.jussieu.fr
-
-
-
-
27
-
-
84986513726
-
-
F. W. Biegler Konig, R. F. W. Bader, and T. Tang, J. Comput. Chem., 3, 317 (1982).
-
(1982)
J. Comput. Chem.
, vol.3
, pp. 317
-
-
Biegler Konig, F.W.1
Bader, R.F.W.2
Tang, T.3
-
29
-
-
85034306487
-
-
note
-
-1.
-
-
-
-
30
-
-
0346748102
-
-
H. Schnöckel, R. A. Eberlein, and S. Plitt, J. Chem. Phys., 97, 4 (1992); M. E. Jacox and D. E. Milligan, J. Chem. Phys., 43, 866 (1965).
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 4
-
-
Schnöckel, H.1
Eberlein, R.A.2
Plitt, S.3
-
31
-
-
0001632971
-
-
H. Schnöckel, R. A. Eberlein, and S. Plitt, J. Chem. Phys., 97, 4 (1992); M. E. Jacox and D. E. Milligan, J. Chem. Phys., 43, 866 (1965).
-
(1965)
J. Chem. Phys.
, vol.43
, pp. 866
-
-
Jacox, M.E.1
Milligan, D.E.2
-
32
-
-
0001055945
-
-
T. Krossner, M. Perić, R. Vetter, and L. Zülicke, J. Chem. Phys., 101, 3981 (1994).
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 3981
-
-
Krossner, T.1
Perić, M.2
Vetter, R.3
Zülicke, L.4
-
34
-
-
84985611078
-
-
D. Cremer and E. Kraka, Angew. Chem. Int. Ed. Engl., 23, 627 (1984); D. Cremer and E. Kraka, Croat. Chem. Acts, 57, 1259 (1984); E. Kraka and D. Cremer, J. Mol. Struct. (Theochem), 255, 189 (1992).
-
(1984)
Angew. Chem. Int. Ed. Engl.
, vol.23
, pp. 627
-
-
Cremer, D.1
Kraka, E.2
-
35
-
-
84985611078
-
-
D. Cremer and E. Kraka, Angew. Chem. Int. Ed. Engl., 23, 627 (1984); D. Cremer and E. Kraka, Croat. Chem. Acts, 57, 1259 (1984); E. Kraka and D. Cremer, J. Mol. Struct. (Theochem), 255, 189 (1992).
-
(1984)
Croat. Chem. Acts
, vol.57
, pp. 1259
-
-
Cremer, D.1
Kraka, E.2
-
36
-
-
0010958531
-
-
D. Cremer and E. Kraka, Angew. Chem. Int. Ed. Engl., 23, 627 (1984); D. Cremer and E. Kraka, Croat. Chem. Acts, 57, 1259 (1984); E. Kraka and D. Cremer, J. Mol. Struct. (Theochem), 255, 189 (1992).
-
(1992)
J. Mol. Struct. (Theochem)
, vol.255
, pp. 189
-
-
Kraka, E.1
Cremer, D.2
-
37
-
-
0030166214
-
-
A. Savin, B. Silvi, and F. Colonna, Can. J. Chem., 74, 1088 (1996).
-
(1996)
Can. J. Chem.
, vol.74
, pp. 1088
-
-
Savin, A.1
Silvi, B.2
Colonna, F.3
-
38
-
-
0013037653
-
-
B. Silvi and P. D'Arco, Eds., Kluwer, Dordrecht
-
B. Silvi, A. Savin, and F. R. Wagner, In Modeling of Minerals and Silicated Materials, B. Silvi and P. D'Arco, Eds., Kluwer, Dordrecht, 1997.
-
(1997)
Modeling of Minerals and Silicated Materials
-
-
Silvi, B.1
Savin, A.2
Wagner, F.R.3
-
41
-
-
33751157179
-
-
J. G. Ángyán, M. Loos, and I. Mayer, J. Phys. Chem., 98, 5244 (1994).
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 5244
-
-
Ángyán, J.G.1
Loos, M.2
Mayer, I.3
-
43
-
-
85034281366
-
-
note
-
17
-
-
-
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