-
2
-
-
36849102165
-
-
(a) Dale, D. W.; Williams, R. J. P.; Johnson, C. E.; Thorp, T. L. J. Chem. Phys. 1968, 49, 3441-3444.
-
(1968)
J. Chem. Phys
, vol.49
, pp. 3441-3444
-
-
Dale, D.W.1
Williams, R.J.P.2
Johnson, C.E.3
Thorp, T.L.4
-
3
-
-
51149202678
-
-
(b) Dale, D. W.; Williams, R. J. P.; Edwards, P. R.; Johnson, C. E. J. Chem. Phys. 1968, 49, 3445-3449.
-
(1968)
J. Chem. Phys
, vol.49
, pp. 3445-3449
-
-
Dale, D.W.1
Williams, R.J.P.2
Edwards, P.R.3
Johnson, C.E.4
-
4
-
-
37049125561
-
-
Stillman, M. J.; Thomson, A. J. J. Chem. Soc., Faraday II 1974, 70, 790-804.
-
(1974)
J. Chem. Soc., Faraday II
, vol.70
, pp. 790-804
-
-
Stillman, M.J.1
Thomson, A.J.2
-
5
-
-
0017782878
-
-
Goff, H.; La Mar, G. N.; Read, C. A. J. Am. Chem. Soc. 1977, 99, 3641-3646.
-
(1977)
J. Am. Chem. Soc
, vol.99
, pp. 3641-3646
-
-
Goff, H.1
La Mar, G.N.2
Read, C.A.3
-
6
-
-
0039816407
-
-
(a) Ceulemans, A.; Dendooven, M.; Vanquickenborne, L. G. Inorg. Chem. 1985, 24, 1153-1158.
-
(1985)
Inorg. Chem
, vol.24
, pp. 1153-1158
-
-
Ceulemans, A.1
Dendooven, M.2
Vanquickenborne, L.G.3
-
7
-
-
0008868848
-
-
(b) Ceulemans, A.; Dendooven, M.; Vanquickenborne, L. G. Inorg. Chem. 1985, 24, 1159-1165.
-
(1985)
Inorg. Chem
, vol.24
, pp. 1159-1165
-
-
Ceulemans, A.1
Dendooven, M.2
Vanquickenborne, L.G.3
-
9
-
-
84902424172
-
-
Lever, A. B. P, Ed, Elsevier: Oxford, U.K
-
Schönher, T.; Atanasov, M.; Adamsky, H. In Comprehensive Coordination Chemistry II; Lever, A. B. P., Ed.; Elsevier: Oxford, U.K., 2004; Part 2.36, pp 443-455.
-
(2004)
Comprehensive Coordination Chemistry II
, Issue.PART 2.36
, pp. 443-455
-
-
Schönher, T.1
Atanasov, M.2
Adamsky, H.3
-
13
-
-
0012162681
-
-
(b) Tanaka, K.; Elkaim, E.; Li, L.; Jue, Z. N.; Coppens, P.; London, J. J. Chem. Phys. 1986, 84, 6969-6978.
-
(1986)
J. Chem. Phys
, vol.84
, pp. 6969-6978
-
-
Tanaka, K.1
Elkaim, E.2
Li, L.3
Jue, Z.N.4
Coppens, P.5
London, J.6
-
14
-
-
0001426269
-
-
Birker, P. J. M. W. L.; Bour, J. J.; Steggerda, J. J. Inorg. Chem. 1973, 12, 1254-1259.
-
(1973)
Inorg. Chem
, vol.12
, pp. 1254-1259
-
-
Birker, P.J.M.W.L.1
Bour, J.J.2
Steggerda, J.J.3
-
16
-
-
4243431188
-
-
Langkjær, M.; Larsen, E.; Larsen, S. Acta Chem. Scand. 1985, A39, 187-197.
-
(1985)
Acta Chem. Scand
, vol.A39
, pp. 187-197
-
-
Langkjær, M.1
Larsen, E.2
Larsen, S.3
-
17
-
-
34447303606
-
-
Trabjerg, I, Trabjerg Consulting, Vedbæk, Denmark
-
(a) Trabjerg, I., Trabjerg Consulting, Vedbæk, Denmark,
-
-
-
-
18
-
-
0001463065
-
-
and with later instrumental improvements
-
(b) Pedersen, E. Acta Chem. Scand. 1972, 26, 333-342 and with later instrumental improvements.
-
(1972)
Acta Chem. Scand
, vol.26
, pp. 333-342
-
-
Pedersen, E.1
-
19
-
-
84902427927
-
-
Bendix, J. In Comprehensive Coordination Chemistry II; Lever, A. B. P., Ed.; Elsevier: Oxford, U.K., 2004; Part 2.55, pp673-676. The software program Ligfield. (The program is available from the author at Department of Chemistry, University of Copenhagen, e-mail: bendix@kiku.dk).
-
(a) Bendix, J. In Comprehensive Coordination Chemistry II; Lever, A. B. P., Ed.; Elsevier: Oxford, U.K., 2004; Part 2.55, pp673-676. The software program Ligfield. (The program is available from the author at Department of Chemistry, University of Copenhagen, e-mail: bendix@kiku.dk).
-
-
-
-
20
-
-
85165746854
-
-
Adamsky, H.; Schonherr, T.; Atanasov, M. In Comprehensive Coordination Chemistry II; Lever, A. B. P., Ed.; Elsevier: Oxford, U.K., 2004; Part 2.52, pp 661-664. The software program AOMX.
-
(b) Adamsky, H.; Schonherr, T.; Atanasov, M. In Comprehensive Coordination Chemistry II; Lever, A. B. P., Ed.; Elsevier: Oxford, U.K., 2004; Part 2.52, pp 661-664. The software program AOMX.
-
-
-
-
21
-
-
85183316477
-
-
Bridgeman, A. J.; Deeth, R. J. In Comprehensive Coordination Chemistry II; Lever, A. B. P., Ed.; Elsevier: Oxford, U.K., 2004; Part 2.54, pp 669-652. The software program CAMMAG.
-
(c) Bridgeman, A. J.; Deeth, R. J. In Comprehensive Coordination Chemistry II; Lever, A. B. P., Ed.; Elsevier: Oxford, U.K., 2004; Part 2.54, pp 669-652. The software program CAMMAG.
-
-
-
-
22
-
-
34447298414
-
-
Johannessen, C.; Thulstrup, P. W. Dalton Trans. Published online January 30, 2007.
-
Johannessen, C.; Thulstrup, P. W. Dalton Trans. Published online January 30, 2007.
-
-
-
-
23
-
-
17544384407
-
-
Atanasov, M.; Daul, C.; Güdel, H. U.; Wesolowski, T. A.; Zbiri, M. Inorg. Chem. 2005, 44, 2954-2963.
-
(2005)
Inorg. Chem
, vol.44
, pp. 2954-2963
-
-
Atanasov, M.1
Daul, C.2
Güdel, H.U.3
Wesolowski, T.A.4
Zbiri, M.5
-
24
-
-
24444436300
-
-
(a) Jørgensen, C. K.; Pappalardo, R.; Schmidtke, H.-H. J. Chem. Phys. 1963, 39, 1422-1430.
-
(1963)
J. Chem. Phys
, vol.39
, pp. 1422-1430
-
-
Jørgensen, C.K.1
Pappalardo, R.2
Schmidtke, H.-H.3
-
28
-
-
34447338104
-
-
A brief account of the AOM is given in Supporting Information, section S4.
-
(e) A brief account of the AOM is given in Supporting Information, section S4.
-
-
-
-
29
-
-
34447323656
-
-
Derivations of parameters are shown in Supporting Information, section S3.
-
(f) Derivations of parameters are shown in Supporting Information, section S3.
-
-
-
-
32
-
-
34447312268
-
-
Details of the construction of the matrix, eq 2, are given in Supporting Information, sections S4 and S5.
-
Details of the construction of the matrix, eq 2, are given in Supporting Information, sections S4 and S5.
-
-
-
-
35
-
-
34447300243
-
Ligand Field Calculations on a Personal Computer, A package of software programs
-
presented at the, Gera
-
(b) Harnung, S. E.; Mønsted, O. Ligand Field Calculations on a Personal Computer, A package of software programs presented at the 28th ICCC, Gera, 1990.
-
(1990)
28th ICCC
-
-
Harnung, S.E.1
Mønsted, O.2
-
36
-
-
34447341246
-
-
In the Ligfield package these files have the extension .oem, 24 Larsen, E, Thulstrup, P. W. Dalton Trans. 2006, 1784-1789
-
In the Ligfield package these files have the extension .oem. (24) Larsen, E.; Thulstrup, P. W. Dalton Trans. 2006, 1784-1789.
-
-
-
-
37
-
-
0000973540
-
-
(a) Glerup, J.; Mønsted, O.; Schäffer, C. E. Inorg. Chem. 1976, 15, 1399-1407.
-
(1976)
Inorg. Chem
, vol.15
, pp. 1399-1407
-
-
Glerup, J.1
Mønsted, O.2
Schäffer, C.E.3
-
39
-
-
34447309809
-
-
62, The data are extracted from Figure 1
-
Komorita, T.; Fujita, M. B.; Kanamori, K.; Hayashi, S.; Shimura, Y. Bull. Chem. Soc Jpn. 1989, 62, 2163-2172. The data are extracted from Figure 1.
-
Bull. Chem. Soc Jpn
, vol.1989
, pp. 2163-2172
-
-
Komorita, T.1
Fujita, M.B.2
Kanamori, K.3
Hayashi, S.4
Shimura, Y.5
-
42
-
-
34447299990
-
-
Occupation numbers are briefly discussed in Supporting Information, section S6.
-
(c) Occupation numbers are briefly discussed in Supporting Information, section S6.
-
-
-
|