-
3
-
-
84990661893
-
-
Aleksandrov, Yu. V., Tsirelson, V. G., Reznik, I. M. & Ozerov, R. P. (1989). Phys. Status Solidi B, 155, 201-207.
-
(1989)
Phys. Status Solidi B
, vol.155
, pp. 201-207
-
-
Aleksandrov, Yu.V.1
Tsirelson, V.G.2
Reznik, I.M.3
Ozerov, R.P.4
-
4
-
-
0037026921
-
-
Ayers, P. W., Parr, R. G. & Nagy, A. (2002). Int. J. Quantum Chem. 90, 309-326.
-
(2002)
Int. J. Quantum Chem.
, vol.90
, pp. 309-326
-
-
Ayers, P.W.1
Parr, R.G.2
Nagy, A.3
-
7
-
-
4243553426
-
-
Becke, A. (1988). Phys. Rev. A, 38, 3098-3100.
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098-3100
-
-
Becke, A.1
-
8
-
-
0034729034
-
-
Bianchi, R., Gervasio, G. & Marabello, D. (2000). Inorg. Chem. 39, 2360-2366.
-
(2000)
Inorg. Chem.
, vol.39
, pp. 2360-2366
-
-
Bianchi, R.1
Gervasio, G.2
Marabello, D.3
-
12
-
-
0001664566
-
-
Chattaraj, P. K., Chamorro, E. & Fuentealba, P. (1999). Chem. Phys. Lett. 314, 114-121.
-
(1999)
Chem. Phys. Lett.
, vol.314
, pp. 114-121
-
-
Chattaraj, P.K.1
Chamorro, E.2
Fuentealba, P.3
-
13
-
-
84987103765
-
-
Clinton, W. L., Frishberg, C. A., Goldberg, M. J., Massa, L. Y. & Oldfield, P. A. (1983). Int. J. Quantum Chem. Symp. 7, 505-514.
-
(1983)
Int. J. Quantum Chem. Symp.
, vol.7
, pp. 505-514
-
-
Clinton, W.L.1
Frishberg, C.A.2
Goldberg, M.J.3
Massa, L.Y.4
Oldfield, P.A.5
-
21
-
-
0000163628
-
-
Espinosa, E., Alkorta, I., Rozas, I., Elguero, J. & Molins, E. (2001). Chem. Phys. Lett. 336, 457-451.
-
(2001)
Chem. Phys. Lett.
, vol.336
, pp. 457-1451
-
-
Espinosa, E.1
Alkorta, I.2
Rozas, I.3
Elguero, J.4
Molins, E.5
-
22
-
-
0001006661
-
-
Espinosa, E., Lecomte, C. & Molins, E. (1999). Chem. Phys. Lett. 300, 745-748.
-
(1999)
Chem. Phys. Lett.
, vol.300
, pp. 745-748
-
-
Espinosa, E.1
Lecomte, C.2
Molins, E.3
-
24
-
-
0032549195
-
-
Espinosa, E., Molins, E. & Lecomte, C. (1998). Chem. Phys. Lett. 285, 170-173.
-
(1998)
Chem. Phys. Lett.
, vol.285
, pp. 170-173
-
-
Espinosa, E.1
Molins, E.2
Lecomte, C.3
-
25
-
-
0042066868
-
-
Galvez, O., Gomez, P. C. & Pacios, L. F. (2001). Chem. Phys. Lett. 337, 263-268.
-
(2001)
Chem. Phys. Lett.
, vol.337
, pp. 263-268
-
-
Galvez, O.1
Gomez, P.C.2
Pacios, L.F.3
-
26
-
-
0021661862
-
-
Ghosh, S. K., Berkowitz, M. & Parr, R. G. (1984). Proc. Natl Acad. Sci. USA, 81, 8028-8031.
-
(1984)
Proc. Natl Acad. Sci. USA
, vol.81
, pp. 8028-8031
-
-
Ghosh, S.K.1
Berkowitz, M.2
Parr, R.G.3
-
27
-
-
0034321727
-
-
Gibbs, G. V., Boisen, M. B., Rosso, K. M., Teter, D. M. & Bukowinsli, M. S. T. (2000). J. Phys. Chem. B, 1004, 10534-10542.
-
(2000)
J. Phys. Chem. B
, vol.1004
, pp. 10534-10542
-
-
Gibbs, G.V.1
Boisen, M.B.2
Rosso, K.M.3
Teter, D.M.4
Bukowinsli, M.S.T.5
-
33
-
-
0003081431
-
-
Hill, F. C., Gibbs, G. V. & Boisen, M. B. (1997). Phys. Chem. Miner. 24, 582-596.
-
(1997)
Phys. Chem. Miner.
, vol.24
, pp. 582-596
-
-
Hill, F.C.1
Gibbs, G.V.2
Boisen, M.B.3
-
35
-
-
0035331016
-
-
Iyengar, S. S., Ernzerhof, M., Maximoff, S. N. & Scuseria, G. E. (2001). Phys. Rev. A, 63, 052508.
-
(2001)
Phys. Rev. A
, vol.63
, pp. 052508
-
-
Iyengar, S.S.1
Ernzerhof, M.2
Maximoff, S.N.3
Scuseria, G.E.4
-
39
-
-
84927379793
-
-
Kirzhnits, D. A., Losovik, Yu. E. & Spatakovskaya, G. V. (1975). Sov. Phys. Usp. 18, 649-672.
-
(1975)
Sov. Phys. Usp.
, vol.18
, pp. 649-672
-
-
Kirzhnits, D.A.1
Losovik, Yu.E.2
Spatakovskaya, G.V.3
-
43
-
-
36449008314
-
-
Kohout, M., Savin, A. & Press, H. (1991). J. Chem. Phys. 95, 1928-1942.
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 1928-1942
-
-
Kohout, M.1
Savin, A.2
Press, H.3
-
47
-
-
24544463188
-
-
Levy, M., Perdew, J. P. & Sahni, V. (1984). Phys. Rev. A, 30, 2745-2748.
-
(1984)
Phys. Rev. A
, vol.30
, pp. 2745-2748
-
-
Levy, M.1
Perdew, J.P.2
Sahni, V.3
-
48
-
-
0041692749
-
-
Lippmann, T., Blaha, P., Andersen, N. H., Poulsen, N. H., Wolf, T., Schneider, J. R. & Schwarz, K.-H. (2003). Acta Cryst. A59, 437-451.
-
(2003)
Acta Cryst.
, vol.A59
, pp. 437-451
-
-
Lippmann, T.1
Blaha, P.2
Andersen, N.H.3
Poulsen, N.H.4
Wolf, T.5
Schneider, J.R.6
Schwarz, K.-H.7
-
49
-
-
0001382881
-
-
Luana, V., Costales, A. & Martin Pendas, A. (1997). Phys. Rev. B, 55, 4285-4297.
-
(1997)
Phys. Rev. B
, vol.55
, pp. 4285-4297
-
-
Luana, V.1
Costales, A.2
Martin Pendas, A.3
-
52
-
-
19744380760
-
-
Martin Pendas, A., Costales, A. & Luana, V. (1997). Phys. Rev. B, 55, 4575-4284.
-
(1997)
Phys. Rev. B
, vol.55
, pp. 4575-14284
-
-
Martin Pendas, A.1
Costales, A.2
Luana, V.3
-
53
-
-
0001052558
-
-
Martin Pendas, A., Costales, A. & Luana, V. (1998). J. Phys. Chem. B, 102, 6937-6948.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 6937-6948
-
-
Martin Pendas, A.1
Costales, A.2
Luana, V.3
-
54
-
-
0001765666
-
-
Nagy, A. (1998). Phys. Rep. 298, 1-79.
-
(1998)
Phys. Rep.
, vol.298
, pp. 1-79
-
-
Nagy, A.1
-
56
-
-
0001348605
-
-
Nagy, A., Parr, R. G. & Liu, S. (1996). Phys. Rev. A, 53, 3117-3121.
-
(1996)
Phys. Rev. A
, vol.53
, pp. 3117-3121
-
-
Nagy, A.1
Parr, R.G.2
Liu, S.3
-
60
-
-
0001114780
-
-
edited by A. Hinthcliffe, London: Royal Society of Chemistry
-
Popelier, P. L. A., Aicken, F. M. & O'Brien, S. E. (2000). Chemical Modelling: Application and Theory, edited by A. Hinthcliffe, Vol. 1, pp. 143-198. London: Royal Society of Chemistry.
-
(2000)
Chemical Modelling: Application and Theory
, vol.1
, pp. 143-198
-
-
Popelier, P.L.A.1
Aicken, F.M.2
O'Brien, S.E.3
-
61
-
-
36549102661
-
-
Sagar, R. P., Ku, A. C T., Smith, V. H. & Simas, A. M. (1988). J. Chem. Phys. 88, 4367-4374.
-
(1988)
J. Chem. Phys.
, vol.88
, pp. 4367-4374
-
-
Sagar, R.P.1
Ku, A.C.T.2
Smith, V.H.3
Simas, A.M.4
-
62
-
-
19744374297
-
-
Personal communication
-
Scherer, W. (2004). Personal communication.
-
(2004)
-
-
Scherer, W.1
-
63
-
-
0346101636
-
-
Scherer, W., Sirsch, P., Shorokhov, D., Tafipolsky, M., McGrady, G. S. & Gullo, E. (2003). Chem. Eur. J. 9, 6057-6070.
-
(2003)
Chem. Eur. J.
, vol.9
, pp. 6057-6070
-
-
Scherer, W.1
Sirsch, P.2
Shorokhov, D.3
Tafipolsky, M.4
McGrady, G.S.5
Gullo, E.6
-
64
-
-
0006356067
-
-
Schmider, H., Edgecombe, K. E., Smith, V. H. & Weyrich, W. (1992). J. Chem. Phys. 96, 8411-8419.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 8411-8419
-
-
Schmider, H.1
Edgecombe, K.E.2
Smith, V.H.3
Weyrich, W.4
-
72
-
-
19744377010
-
-
Stash, A., Zavodnik, V. & Tsirelson, V. (2004). In preparation
-
Stash, A., Zavodnik, V. & Tsirelson, V. (2004). In preparation.
-
-
-
-
74
-
-
0001670488
-
-
Suponitsky, K. Yu.,Tsirelson, V. G. & Feil, D. (1999). Acta Cryst. A55, 821-827.
-
(1999)
Acta Cryst.
, vol.A55
, pp. 821-827
-
-
Suponitsky, K.Yu.1
Tsirelson, V.G.2
Feil, D.3
-
75
-
-
0037157118
-
-
Tafipolsky, M., Scherer, W., Öfele, K., Artus, G., Pedersen, B., Herrmann, W. A. & McGrady, G. S. (2002). J. Am. Chem. Soc. 124, 5865-5880.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 5865-5880
-
-
Tafipolsky, M.1
Scherer, W.2
Öfele, K.3
Artus, G.4
Pedersen, B.5
Herrmann, W.A.6
McGrady, G.S.7
-
82
-
-
0000727609
-
-
Tsirelson, V. G., Abramov, Yu. A., Zavodnik, V. E., Stash, A. I., Belokoneva, E. L., Stahn, J., Pietsch, U. & Feil, D. (1998). Struct. Chem. 9, 249-254.
-
(1998)
Struct. Chem.
, vol.9
, pp. 249-254
-
-
Tsirelson, V.G.1
Abramov, Yu.A.2
Zavodnik, V.E.3
Stash, A.I.4
Belokoneva, E.L.5
Stahn, J.6
Pietsch, U.7
Feil, D.8
-
83
-
-
84955183414
-
-
Tsirelson, V. G., Mestechkin, M. M. & Ozerov, R. P. (1977). Dokl. Akad. Nauk, 233, 108-110.
-
(1977)
Dokl. Akad. Nauk
, vol.233
, pp. 108-110
-
-
Tsirelson, V.G.1
Mestechkin, M.M.2
Ozerov, R.P.3
-
88
-
-
84977309239
-
-
Tsirelson, V. G., Zhou, P. F., Tang, T.-H. & Bader, R. F. W. (1995). Acta Cryst. A51, 143-153.
-
(1995)
Acta Cryst.
, vol.A51
, pp. 143-153
-
-
Tsirelson, V.G.1
Zhou, P.F.2
Tang, T.-H.3
Bader, R.F.W.4
|