-
1
-
-
0036525940
-
-
a) P. Coppens, I. Novozhilova, A. Kovalevsky, Chem. Rev. 2002, 102, 861-883;
-
(2002)
Chem. Rev.
, vol.102
, pp. 861-883
-
-
Coppens, P.1
Novozhilova, I.2
Kovalevsky, A.3
-
4
-
-
33344464941
-
-
d) K. Ichiyanagi, J. Herbert, L. Toupet, H. Cailleau, P. Guionneau, J.-F. Létard, E. Collet, Phys. Rev. B 2006, 73, 060408;
-
(2006)
Phys. Rev. B
, vol.73
, pp. 060408
-
-
Ichiyanagi, K.1
Herbert, J.2
Toupet, L.3
Cailleau, H.4
Guionneau, P.5
Létard, J.-F.6
Collet, E.7
-
5
-
-
38049153578
-
-
e) V. Legrand, S. Fillet, C. Carbonea, M. Souhassou, J.-F. Létard, P. Guionneau, C. Lecomte, Eur. J. Inorg. Chem. 2007, 5693-5706;
-
(2007)
Eur. J. Inorg. Chem.
, pp. 5693-5706
-
-
Legrand, V.1
Fillet, S.2
Carbonea, C.3
Souhassou, M.4
Létard, J.-F.5
Guionneau, P.6
Lecomte, C.7
-
8
-
-
0027108977
-
-
M. Rüdlinger, J. Schefer, T. Vogt, T. Woike, S. Haussühl, H. Zöllner, Physica B.+ C 1992,180, 293-298.
-
(1992)
Physica B.+ C
, vol.180
, pp. 293-298
-
-
Rüdlinger, M.1
Schefer, J.2
Vogt, T.3
Woike, T.4
Haussühl, S.5
Zöllner, H.6
-
9
-
-
0030991472
-
-
M. D. Carducci, M. R. Pressprich, P. Coppens, J. Am. Chem. Soc. 1997, 119, 2669-2678.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 2669-2678
-
-
Carducci, M.D.1
Pressprich, M.R.2
Coppens, P.3
-
10
-
-
0037036719
-
-
a) A. Y. Kovalevsky, K. A. Bagley, P. Coppens, J. Am. Chem. Soc. 2002, 124, 9241-9248;
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 9241-9248
-
-
Kovalevsky, A.Y.1
Bagley, K.A.2
Coppens, P.3
-
11
-
-
0037243531
-
-
b) A. Y. Kovalevsky, K. A. Bagley, J. M. Cole, P. Coppens, Inorg. Chem. 2003, 42, 140-147.
-
(2003)
Inorg. Chem.
, vol.42
, pp. 140-147
-
-
Kovalevsky, A.Y.1
Bagley, K.A.2
Cole, J.M.3
Coppens, P.4
-
12
-
-
33745052144
-
-
K. F. Bowes, J. M. Cole, S. L. G. Husheer, P. R. Raithby, T. L. Savarese, H. A. Sparkes, S. J. Teat, J. E. Warren, Chem. Commun. 2006, 2448-2450.
-
(2006)
Chem. Commun.
, pp. 2448-2450
-
-
Bowes, K.F.1
Cole, J.M.2
Husheer, S.L.G.3
Raithby, P.R.4
Savarese, T.L.5
Sparkes, H.A.6
Teat, S.J.7
Warren, J.E.8
-
13
-
-
0034990217
-
-
J. Kusz, H. Spiering, P. Gütlich, J. Appl. Crystallogr. 2001, 34, 229-238.
-
(2001)
J. Appl. Crystallogr.
, vol.34
, pp. 229-238
-
-
Kusz, J.1
Spiering, H.2
Gütlich, P.3
-
14
-
-
1442263676
-
-
N. Huby, L. Guérin, E. Collet, L. Toupet, J. C. Ameline, H. Cailleau, T. Roisnel, T. Tayagaki, K. Tanaka, Phys. Rev. B 2004, 69, 020101(R).
-
(2004)
Phys. Rev. B
, vol.69
-
-
Huby, N.1
Guérin, L.2
Collet, E.3
Toupet, L.4
Ameline, J.C.5
Cailleau, H.6
Roisnel, T.7
Tayagaki, T.8
Tanaka, K.9
-
15
-
-
44649109658
-
-
S. Fillet, V. Legrand, H. P. Weber, M. Souhassou, J. F. Létard, P. Guionneau, C. Lecomte, Z. Kristallogr. 2008, 223, 235-249.
-
(2008)
Z. Kristallogr.
, vol.223
, pp. 235-249
-
-
Fillet, S.1
Legrand, V.2
Weber, H.P.3
Souhassou, M.4
Létard, J.F.5
Guionneau, P.6
Lecomte, C.7
-
16
-
-
33846534202
-
-
E. Trzop, M. B. L. Cointe, H. Cailleau, L. Toupet, G. Moinar, A. Bousseksou, A. B. Gaspar, J. A. Real, E. Collet, J. Appl. Crystallogr. 2007, 40, 158-164.
-
(2007)
J. Appl. Crystallogr.
, vol.40
, pp. 158-164
-
-
Trzop, E.1
Cointe, M.B.L.2
Cailleau, H.3
Toupet, L.4
Moinar, G.5
Bousseksou, A.6
Gaspar, A.B.7
Real, J.A.8
Collet, E.9
-
17
-
-
0036115772
-
-
a) C. D. Kim, S. Fillet, G. Wu, W. K. Fullagar, P. Coppens, Acta Crystallogr. Sect. A 2002, 58, 133-137;
-
(2002)
Acta Crystallogr. Sect. A
, vol.58
, pp. 133-137
-
-
Kim, C.D.1
Fillet, S.2
Wu, G.3
Fullagar, W.K.4
Coppens, P.5
-
18
-
-
0037419591
-
-
b) Y. Ozawa, M. Terashima, M. Mitsumi, K. Toriumi, N. Yasuda, H. Uekusa, Y. Ohashi, Chem. Lett. 2003, 32, 62-63;
-
(2003)
Chem. Lett.
, vol.32
, pp. 62-63
-
-
Ozawa, Y.1
Terashima, M.2
Mitsumi, M.3
Toriumi, K.4
Yasuda, N.5
Uekusa, H.6
Ohashi, Y.7
-
19
-
-
0037027708
-
-
c) N. Yasuda, M. Kanazawa, H. Uekusa, Y. Ohashi, Chem. Lett. 2002, 1132-1133.
-
(2002)
Chem. Lett.
, pp. 1132-1133
-
-
Yasuda, N.1
Kanazawa, M.2
Uekusa, H.3
Ohashi, Y.4
-
20
-
-
0242584819
-
-
E. Collet, M. H. Lemée-Cailleau, M. B. L. Cointe, H. Cailleau, M. Wulff, T. Luty, S. Y. Koshihara, M. Meyer, L. Toupet, P. Rabiller, S. Techert, Science 2003, 300, 612-615.
-
(2003)
Science
, vol.300
, pp. 612-615
-
-
Collet, E.1
Lemée-Cailleau, M.H.2
Cointe, M.B.L.3
Cailleau, H.4
Wulff, M.5
Luty, T.6
Koshihara, S.Y.7
Meyer, M.8
Toupet, L.9
Rabiller, P.10
Techert, S.11
-
23
-
-
0000113564
-
-
O. Sato, T. Iyoda, A. Fujishima, K. Hashimato, Science 1996, 272, 704-705.
-
(1996)
Science
, vol.272
, pp. 704-705
-
-
Sato, O.1
Iyoda, T.2
Fujishima, A.3
Hashimato, K.4
-
24
-
-
48849102574
-
-
T. Korzeniak, C. Mathenière, A. Kaiba, P. Guionneau, M. Koziel, Inorg. Chim. Acta 2008, 361, 3500-3504.
-
(2008)
Inorg. Chim. Acta
, vol.361
, pp. 3500-3504
-
-
Korzeniak, T.1
Mathenière, C.2
Kaiba, A.3
Guionneau, P.4
Koziel, M.5
-
25
-
-
0142126696
-
-
G. Li, T. Akitsu, O. Sato, Y. Einaga, J. Am. Chem. Soc. 2003, 125, 12396-12397.
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 12396-12397
-
-
Li, G.1
Akitsu, T.2
Sato, O.3
Einaga, Y.4
-
26
-
-
18544382384
-
-
a) J. Overgaard, H. Svendsen, M. A. Chevallier, B. B. Iversen, Acta Crystallogr. Sect. E 2005, 61, m268-m270;
-
(2005)
Acta Crystallogr. Sect. E
, vol.61
-
-
Overgaard, J.1
Svendsen, H.2
Chevallier, M.A.3
Iversen, B.B.4
-
27
-
-
33744551474
-
-
b) H. Svendsen, J. Over-gaard, M. A. Chevalier, B. B. Iversen, Acta Crystallogr. Sect. E 2006, 62, m989-m991;
-
(2006)
Acta Crystallogr. Sect. E
, vol.62
-
-
Svendsen, H.1
Over-gaard, J.2
Chevalier, M.A.3
Iversen, B.B.4
-
29
-
-
7244239530
-
-
G. Li, O. Sato, T. Akitsu, Y. Einaga, J. Solid State Chem. 2004, 177, 3835-3838.
-
(2004)
J. Solid State Chem.
, vol.177
, pp. 3835-3838
-
-
Li, G.1
Sato, O.2
Akitsu, T.3
Einaga, Y.4
-
30
-
-
13544249971
-
-
G. Li, P. Yan, O. Sato, Y. Einaga, J. Solid State Chem. 2005, 178, 36-40.
-
(2005)
J. Solid State Chem.
, vol.178
, pp. 36-40
-
-
Li, G.1
Yan, P.2
Sato, O.3
Einaga, Y.4
-
31
-
-
70349957087
-
-
H. Svendsen, J. Overgaard, M. A. Chevalier, E. Collet, B. B. Iversen, Angew. Chem, 2009, 121, 2818-2821;
-
(2009)
Angew. Chem
, vol.121
, pp. 2818-2821
-
-
Svendsen, H.1
Overgaard, J.2
Chevalier, M.A.3
Collet, E.4
Iversen, B.B.5
-
32
-
-
70349932587
-
-
Angew. Chem. Int. Ed. 2009, 48, 2780-2783.
-
(2009)
Angew. Chem. Int. Ed.
, vol.48
, pp. 2780-2783
-
-
-
33
-
-
0037467767
-
-
A. Figuerola, C. Diaz, J. Ribas, V. Tangoulis, J. Granell, F. Lloret, J. Mahía, M.. Maestro, Inorg. Chem. 2003, 42, 641-649.
-
(2003)
Inorg. Chem.
, vol.42
, pp. 641-649
-
-
Figuerola, A.1
Diaz, C.2
Ribas, J.3
Tangoulis, V.4
Granell, J.5
Lloret, F.6
Mahía, J.7
Maestro, M.8
-
34
-
-
0000900770
-
-
For example, see: a) R. Haser, C. E. De Broin, M. Pierrot, Acta Crystallogr. Sect. B 1972, 28, 2530-2537;
-
(1972)
Acta Crystallogr. Sect. B
, vol.28
, pp. 2530-2537
-
-
Haser, R.1
De Broin, C.E.2
Pierrot, M.3
-
35
-
-
0000057644
-
-
b) P. M. Pierrot, R. Kern, R. Weiss, Acta Crystallogr. 1966, 20, 425-428.
-
(1966)
Acta Crystallogr.
, vol.20
, pp. 425-428
-
-
Pierrot, P.M.1
Kern, R.2
Weiss, R.3
-
36
-
-
77953865588
-
-
M. R. Warren, S. K. Brayshaw, A. L. Johnson, S. Schiffers, P. R. Raithby, T. L. Easun, M. W. George, J. E. Warren, S. J. Teat, Angew. Chem. 2009, 121, 5821-5824;
-
(2009)
Angew. Chem.
, vol.121
, pp. 5821-5824
-
-
Warren, M.R.1
Brayshaw, S.K.2
Johnson, A.L.3
Schiffers, S.4
Raithby, P.R.5
Easun, T.L.6
George, M.W.7
Warren, J.E.8
Teat, S.J.9
-
37
-
-
70349898718
-
-
Angew. Chem. Int. Ed. 2009, 48, 5711-5714.
-
(2009)
Angew. Chem. Int. Ed.
, vol.48
, pp. 5711-5714
-
-
-
41
-
-
77953864703
-
-
For the charge transfer states, the natural orbital occupancy numbers are (1.93, 1.00, 0.99, 0.07, 0.01) and (1.00, 1.00, 1.00, 1.00, 0.00, 0.00, 0.00) for the two orbital spaces, respectively, while the corresponding values for the regular states are (1.97,1.96, .1.00, 0.04, 0.03) and (1.00,1.00,1.00, 0.00, 0.00, 0.000.00)
-
For the charge transfer states, the natural orbital occupancy numbers are (1.93, 1.00, 0.99, 0.07, 0.01) and (1.00, 1.00, 1.00, 1.00, 0.00, 0.00, 0.00) for the two orbital spaces, respectively, while the corresponding values for the regular states are (1.97,1.96, .1.00, 0.04, 0.03) and (1.00,1.00,1.00, 0.00, 0.00, 0.00,0.00).
-
-
-
-
46
-
-
2442617487
-
-
a) J. S. Binkley, J. A. Pople, W. J. Hehre, J. Am. Chem. Soc. 1980, 102, 939;
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 939
-
-
Binkley, J.S.1
Pople, J.A.2
Hehre, W.J.3
-
47
-
-
0005744966
-
-
b) W. J. Stevens, H. Basch, M. Krauss, J. Chem. Phys. 1984, 81, 6026;
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 6026
-
-
Stevens, W.J.1
Basch, H.2
Krauss, M.3
-
48
-
-
0001510524
-
-
c) W. J. Stevens, M. Krauss, H. Basch, P. G. Jasien, Can. J. Chem. 1992, 70, 612;
-
(1992)
Can. J. Chem.
, vol.70
, pp. 612
-
-
Stevens, W.J.1
Krauss, M.2
Basch, H.3
Jasien, P.G.4
-
50
-
-
11744322674
-
-
D. Andrae, U. Haeussermann, M. Dolg, H. Stoll, H. Preuss, Theor. Chim. Acta 1990, 77, 123-141.
-
(1990)
Theor. Chim. Acta
, vol.77
, pp. 123-141
-
-
Andrae, D.1
Haeussermann, U.2
Dolg, M.3
Stoll, H.4
Preuss, H.5
-
52
-
-
0038626673
-
-
Revision C.02, Inc., Wallingford CT
-
Gaussian 03, Revision C.02, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, J. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, and J. A. Pople, Inc., Wallingford CT, 2004.
-
(2004)
Gaussian 03
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery Jr., J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, J.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.W.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, A.G.62
Clifford, S.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.66
Liashenko, A.67
Piskorz, P.68
Komaromi, I.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al-Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, P.M.W.77
Johnson, B.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
Pople, J.A.82
more..
-
53
-
-
84893169025
-
-
M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Kosecki, N. Matsunaga, K. A. Nguyen, S. J. Su, T. L. Windus, M. Dupuis, J. A. Montgomery, J. Comput. Chem. 1993, 14, 1347-1363.
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1347-1363
-
-
Schmidt, M.W.1
Baldridge, K.K.2
Boatz, J.A.3
Elbert, S.T.4
Gordon, M.S.5
Jensen, J.H.6
Kosecki, S.7
Matsunaga, N.8
Nguyen, K.A.9
Su, S.J.10
Windus, T.L.11
Dupuis, M.12
Montgomery, J.A.13
|