-
1
-
-
35848965262
-
-
Peralta, G. A.; Seth, M.; Ziegler, T. Inorg. Chem. 2007, 46, 9111-9125.
-
(2007)
Inorg. Chem
, vol.46
, pp. 9111-9125
-
-
Peralta, G.A.1
Seth, M.2
Ziegler, T.3
-
2
-
-
3042553642
-
-
(a) Seth, M.; Ziegler, T.; Banerjee, A.; Autschbach, J.; van Gisbergen, S. J. A.; Baerends, E. J. J. Chem. Phys. 2004, 120, 10942-10954.
-
(2004)
J. Chem. Phys
, vol.120
, pp. 10942-10954
-
-
Seth, M.1
Ziegler, T.2
Banerjee, A.3
Autschbach, J.4
van Gisbergen, S.J.A.5
Baerends, E.J.6
-
3
-
-
44349115896
-
-
Seth, M.; Autschbach, J.; Ziegler, T. J. Chem. Phys. 2005, 122-1-7.
-
(b) Seth, M.; Autschbach, J.; Ziegler, T. J. Chem. Phys. 2005, 122-1-7.
-
-
-
-
4
-
-
44349164284
-
-
Seth, M.; Ziegler, T. J. Chem. Phys. 2006, 124-1-12.
-
(c) Seth, M.; Ziegler, T. J. Chem. Phys. 2006, 124-1-12.
-
-
-
-
5
-
-
35848968751
-
-
(d) Seth, M.; Autschbach, J.; Ziegler, T. J. Chem. Theory Comput. 2007, 3, 434-447.
-
(2007)
J. Chem. Theory Comput
, vol.3
, pp. 434-447
-
-
Seth, M.1
Autschbach, J.2
Ziegler, T.3
-
6
-
-
22944440687
-
-
(e) Krykunov, M.; Banerjee, A.; Ziegler, T.; Autschbach, J. J. Chem. Phys. 2005, 122, 075105.
-
(2005)
J. Chem. Phys
, vol.122
, pp. 075105
-
-
Krykunov, M.1
Banerjee, A.2
Ziegler, T.3
Autschbach, J.4
-
7
-
-
0038023343
-
-
Baerends, E. J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 41-51.
-
(1973)
Chem. Phys
, vol.2
, pp. 41-51
-
-
Baerends, E.J.1
Ellis, D.E.2
Ros, P.3
-
9
-
-
0002540271
-
Parallelisation of the Amsterdam Density Functional Program
-
Clementi, E. Corongiu, G. Eds, STEF: Cagliari
-
(b) Fonseca Guerra, C.; Visser, O.; Snijders, J. G.; te Velde, G.; Baerends, E. J. Parallelisation of the Amsterdam Density Functional Program. In Methods and Techniques for Computational Chemistry; Clementi, E. Corongiu, G. Eds.; STEF: Cagliari, 1995; pp. 305-395.
-
(1995)
Methods and Techniques for Computational Chemistry
, pp. 305-395
-
-
Fonseca Guerra, C.1
Visser, O.2
Snijders, J.G.3
te Velde, G.4
Baerends, E.J.5
-
10
-
-
0005985722
-
-
Dolphin, D. Ed, Academic Press: New York
-
(a) The Porphyrins, Vol, III, Part A; Dolphin, D. Ed.; Academic Press: New York, 1978-1979.
-
(1978)
The Porphyrins, Vol, III, Part A
-
-
-
11
-
-
0003946851
-
-
Smith K. M, Ed, Elsevier Scientific Publishing Company: Amsterdam
-
(b) Porphyrins and Metalloporphyrins; Smith K. M., Ed.; Elsevier Scientific Publishing Company: Amsterdam, 1975.
-
(1975)
Porphyrins and Metalloporphyrins
-
-
-
12
-
-
0000208617
-
-
Solomon, E. I.; Brunold, T.; Davis, M. I.; Kemsley, J. N.; Lee, S.-K.; Lehnert, N.; Nesse, F.; Skulan, A. J.; Shan, Y.-S.; Zhou, J. Chem. Rev. 2000, 100, 235-350.
-
(2000)
Chem. Rev
, vol.100
, pp. 235-350
-
-
Solomon, E.I.1
Brunold, T.2
Davis, M.I.3
Kemsley, J.N.4
Lee, S.-K.5
Lehnert, N.6
Nesse, F.7
Skulan, A.J.8
Shan, Y.-S.9
Zhou, J.10
-
13
-
-
0003595733
-
-
Baldwin, J. E, Magnus, P. D, Eds, Pergamon
-
Expanded Contracted and Isomeric Porphyrins, Vol. 15; Baldwin, J. E., Magnus, P. D., Eds.; Pergamon, 1997.
-
(1997)
Expanded Contracted and Isomeric Porphyrins
, vol.15
-
-
-
15
-
-
0000338043
-
-
VanCott, T. C.; Rose, J. L.; Misener, G. C.; Williamson, B. E.; Schrimpf, A. E.; Boyle, M. E.; Schatz, P. N. J. Chem. Phys. 1989, 93, 2999.
-
(1989)
J. Chem. Phys
, vol.93
, pp. 2999
-
-
VanCott, T.C.1
Rose, J.L.2
Misener, G.C.3
Williamson, B.E.4
Schrimpf, A.E.5
Boyle, M.E.6
Schatz, P.N.7
-
21
-
-
35748932428
-
-
Darwent, J. R.; Douglas, P.; Harriman, A.; Porter, G.; Richoux, M. C. Coord. Chem. Rev. 1982, 44, 83-126.
-
(1982)
Coord. Chem. Rev
, vol.44
, pp. 83-126
-
-
Darwent, J.R.1
Douglas, P.2
Harriman, A.3
Porter, G.4
Richoux, M.C.5
-
22
-
-
44349172073
-
-
Lever, A. B. P.; Licoccia, S.; Ramaswamy, B. S.; Kandil, S. A; Stynes, D. V. Inorg. Chim. Acta 1981, 51, 163-167.
-
Lever, A. B. P.; Licoccia, S.; Ramaswamy, B. S.; Kandil, S. A; Stynes, D. V. Inorg. Chim. Acta 1981, 51, 163-167.
-
-
-
-
23
-
-
33845470878
-
-
Ohtani, H.; Kobayashi, T.; Ohno, T.; Kato, S.; Tanno, T.; Yamada, A. J. Phys. Chem. 1984, 88, 4431-4435.
-
(1984)
J. Phys. Chem
, vol.88
, pp. 4431-4435
-
-
Ohtani, H.1
Kobayashi, T.2
Ohno, T.3
Kato, S.4
Tanno, T.5
Yamada, A.6
-
25
-
-
0021497209
-
-
Van Den Brink, F.; Visscher, W.; Barendrecht, E. J. Electroanal. Chem. Interfacial Electrochem. 1985, 175, 279-289.
-
(1985)
J. Electroanal. Chem. Interfacial Electrochem
, vol.175
, pp. 279-289
-
-
Van Den Brink, F.1
Visscher, W.2
Barendrecht, E.3
-
28
-
-
44349187711
-
-
Equation A.4.13 of Ref. 19a.
-
(b) Equation A.4.13 of Ref. 19a.
-
-
-
-
29
-
-
44349193023
-
-
Equation A.4.10 of ref 19a.
-
(c) Equation A.4.10 of ref 19a.
-
-
-
-
30
-
-
44349173225
-
-
Equation 4.6.14 of ref 19a
-
(d) Equation 4.6.14 of ref 19a.
-
-
-
-
36
-
-
33846580125
-
-
(b) Mack, J.; Stillman, M. J.; Kobayashi, N. Coord. Chem. Rev. 2007, 251, 429-453.
-
(2007)
Coord. Chem. Rev
, vol.251
, pp. 429-453
-
-
Mack, J.1
Stillman, M.J.2
Kobayashi, N.3
-
38
-
-
0037152402
-
-
(a) Kobayashi, N.; Mack, J.; Ishii, K.; Stillman, M. J. Inorg. Chem. 2002, 41, 5350-5363.
-
(2002)
J. Inorg. Chem
, vol.41
, pp. 5350-5363
-
-
Kobayashi, N.1
Mack, J.2
Ishii, K.3
Stillman, M.4
-
39
-
-
29444459613
-
-
(b) Mack, J.; Asano, Y.; Kobayashi, N.; Stillman, M. J. J. Am. Chem. Soc. 2005, 127, 17697-17711.
-
(2005)
J. Am. Chem. Soc
, vol.127
, pp. 17697-17711
-
-
Mack, J.1
Asano, Y.2
Kobayashi, N.3
Stillman, M.J.4
-
42
-
-
1342289486
-
-
Zhou, X.; Ren, A.; Feng, J.; Liu, X. Can. J. Chem. 2004, 82, 19-26.
-
(2004)
Can. J. Chem
, vol.82
, pp. 19-26
-
-
Zhou, X.1
Ren, A.2
Feng, J.3
Liu, X.4
-
43
-
-
0000632474
-
-
Cory, M. G.; Hirose, H.; Zerner, M. C. Inorg. Chem. 1995, 34, 2969-2979.
-
(1995)
Inorg. Chem
, vol.34
, pp. 2969-2979
-
-
Cory, M.G.1
Hirose, H.2
Zerner, M.C.3
-
44
-
-
0036322027
-
-
Baerends, E. J.; Ricciardi, G.; Rosa, A.; van Gisbergen, S. J. A. Coord. Chem. Rev. 2002, 230, 5-27.
-
(2002)
Coord. Chem. Rev
, vol.230
, pp. 5-27
-
-
Baerends, E.J.1
Ricciardi, G.2
Rosa, A.3
van Gisbergen, S.J.A.4
-
45
-
-
0000947330
-
-
Kaito, A.; Nozawa, T.; Yamamoto, T.; Hatano, M. Chem. Phys. Lett. 1977, 52, 154-160.
-
(1977)
Chem. Phys. Lett
, vol.52
, pp. 154-160
-
-
Kaito, A.1
Nozawa, T.2
Yamamoto, T.3
Hatano, M.4
-
48
-
-
0000702007
-
-
Dolphin, D.; James, B. R.; Murray, A. J.; Thornback, J. R. Can. J. Chem. 1980, 58, 1125-1132.
-
(1980)
Can. J. Chem
, vol.58
, pp. 1125-1132
-
-
Dolphin, D.1
James, B.R.2
Murray, A.J.3
Thornback, J.R.4
-
49
-
-
0027191786
-
-
Mansour, K.; Alverex, D., Jr.; Perry, K. J.; Choong, I.; Marder, S. R.; Perry, J. W. Proc. SPIE. 1993, 1853, 132-142.
-
(1993)
Proc. SPIE
, vol.1853
, pp. 132-142
-
-
Mansour, K.1
Alverex Jr., D.2
Perry, K.J.3
Choong, I.4
Marder, S.R.5
Perry, J.W.6
-
50
-
-
0542422675
-
-
Su, W.; Cooper, T. M.; Brant, M. C. Chem. Mater. 1998, 10, 1212-1213.
-
(1998)
Chem. Mater
, vol.10
, pp. 1212-1213
-
-
Su, W.1
Cooper, T.M.2
Brant, M.C.3
-
51
-
-
0032373209
-
-
Qureshi, F. M.; Martin, S. J.; Long, X.; Bradley, D. D. C.; Henari, F. Z.; Blau, W. J.; Smith, E. C.; Wang, C. H.; Kar, A. K.; Anderson, H. L. Chem. Phys. 1998, 231, 87-94.
-
(1998)
Chem. Phys
, vol.231
, pp. 87-94
-
-
Qureshi, F.M.1
Martin, S.J.2
Long, X.3
Bradley, D.D.C.4
Henari, F.Z.5
Blau, W.J.6
Smith, E.C.7
Wang, C.H.8
Kar, A.K.9
Anderson, H.L.10
-
52
-
-
0032183664
-
-
Stiel, H.; Volkmer, A.; Ruckmann, I.; Zeug, A.; Ehrenberg, B.; Roder, B. Opt. Commun. 1998, 155, 135-137.
-
(1998)
Opt. Commun
, vol.155
, pp. 135-137
-
-
Stiel, H.1
Volkmer, A.2
Ruckmann, I.3
Zeug, A.4
Ehrenberg, B.5
Roder, B.6
-
53
-
-
0001110575
-
-
de la Torre, G.; Vazquez, P.; Agullo-Lopez, F.; Torres, T. J. Mater. Chem. 1998, 8, 1671-1683.
-
(1998)
J. Mater. Chem
, vol.8
, pp. 1671-1683
-
-
de la Torre, G.1
Vazquez, P.2
Agullo-Lopez, F.3
Torres, T.4
-
54
-
-
0029985318
-
-
Pryadarshy, S.; Therien, M. J.; Beratan, D. N. J. Am. Chem. Soc. 1996, 118, 1504-1510.
-
(1996)
J. Am. Chem. Soc
, vol.118
, pp. 1504-1510
-
-
Pryadarshy, S.1
Therien, M.J.2
Beratan, D.N.3
-
55
-
-
0031165674
-
-
Beljonne, D.; O'Keefe, G. E.; Hamer, P. J.; Friend, R. H.; Anderson, H. L.; Brédas, J. L. J. Chem. Phys. 1997, 106, 9439-4960.
-
(1997)
J. Chem. Phys
, vol.106
, pp. 9439-4960
-
-
Beljonne, D.1
O'Keefe, G.E.2
Hamer, P.J.3
Friend, R.H.4
Anderson, H.L.5
Brédas, J.L.6
-
56
-
-
0031581979
-
-
Henari, F. Z.; Blau, W. J.; Milgrom, L. R.; Yahioglu, G.; Phillips, D.; Lacey, J. A. Chem. Phys. Lett. 1997, 267, 229-233.
-
(1997)
Chem. Phys. Lett
, vol.267
, pp. 229-233
-
-
Henari, F.Z.1
Blau, W.J.2
Milgrom, L.R.3
Yahioglu, G.4
Phillips, D.5
Lacey, J.A.6
-
57
-
-
0000635170
-
-
Wang, Z.; Day, P. N.; Pachter, R. J. Chem. Phys. 1998, 108, 2504-2510.
-
(1998)
J. Chem. Phys
, vol.108
, pp. 2504-2510
-
-
Wang, Z.1
Day, P.N.2
Pachter, R.3
-
58
-
-
0001126980
-
-
Chen, P.; Tomov, I. V.; Dvornikov, A. S.; Nakashima, M.; Roach. J. F.; Alabram, D. M.; Rentzepis, P. M. J. Phys. Chem. 1996, 100, 17507-17512.
-
(1996)
J. Phys. Chem
, vol.100
, pp. 17507-17512
-
-
Chen, P.1
Tomov, I.V.2
Dvornikov, A.S.3
Nakashima, M.4
Roach, J.F.5
Alabram, D.M.6
Rentzepis, P.M.7
-
60
-
-
0001137098
-
-
Leznoff, C. C, Lever, A. B. P, Eds, VCH: New York
-
Rosenthal, I.; Ben-Hur, E. In Phthalocyanines; Leznoff, C. C., Lever, A. B. P., Eds.; VCH: New York, 1989; p 393.
-
(1989)
Phthalocyanines
, pp. 393
-
-
Rosenthal, I.1
Ben-Hur, E.2
-
62
-
-
0000291501
-
-
Seto, J.; Tamura, S.; Asai, N.; Kishii, N.; Kijima, Y.; Matsuzawa, N. Pure Appl. Chem. 1996, 68, 1429-1434.
-
(1996)
Pure Appl. Chem
, vol.68
, pp. 1429-1434
-
-
Seto, J.1
Tamura, S.2
Asai, N.3
Kishii, N.4
Kijima, Y.5
Matsuzawa, N.6
-
65
-
-
50549206325
-
-
Gouterman, M.; Wagnière, G.; Snyder, L. C. J. Mol. Spectrosc. 1963, 11, 108-127.
-
(1963)
J. Mol. Spectrosc
, vol.11
, pp. 108-127
-
-
Gouterman, M.1
Wagnière, G.2
Snyder, L.C.3
-
67
-
-
0002450434
-
-
Schaffer, A. M.; Gouterman, M.; Weiss, C. Theor. Chim. Acta 1973, 30, 9-30.
-
(1973)
Theor. Chim. Acta
, vol.30
, pp. 9-30
-
-
Schaffer, A.M.1
Gouterman, M.2
Weiss, C.3
-
68
-
-
0000335816
-
-
Weiss, C., Jr.; Kobayashi, H.; Gouterman, M. J. Mol. Spectrosc. 1965, 16, 415-450.
-
(1965)
J. Mol. Spectrosc
, vol.16
, pp. 415-450
-
-
Weiss Jr., C.1
Kobayashi, H.2
Gouterman, M.3
-
69
-
-
0001052787
-
-
McHugh, A. J.; Gouterman, M.; Weiss, C., Jr. Theor. Chim. Acta 1972, 24, 346-370.
-
(1972)
Theor. Chim. Acta
, vol.24
, pp. 346-370
-
-
McHugh, A.J.1
Gouterman, M.2
Weiss Jr., C.3
-
70
-
-
0001157659
-
-
Chong, D. P, Ed, World Scientific: Singapore
-
Casida, M. E. In Recent Advances in Density Functional Methods; Chong, D. P., Ed.; World Scientific: Singapore, Vol. 1, 1995; p 155.
-
(1995)
Recent Advances in Density Functional Methods
, vol.1
, pp. 155
-
-
Casida, M.E.1
-
72
-
-
0042814627
-
Density Functional Theory of Time-Dependent Systems
-
Plenum: New York, of
-
Gross, E. K. U.; Ullrich, C. A. Gossmann, U. J. Density Functional Theory of Time-Dependent Systems; Plenum: New York, Vol. 337 of NATO ASI Ser. B., 1995; p 149M.
-
(1995)
NATO ASI Ser. B
, vol.337
-
-
Gross, E.K.U.1
Ullrich, C.A.2
Gossmann, U.J.3
-
73
-
-
0003833820
-
Density Functional Theory
-
Nalewajski, R. F, Ed, Springer: Heidelberg, Germany
-
Gross, E. U. K.; Dobson, J. F.; Petersilka, M. Density Functional Theory. In Springer Series: Topics in Current Chemistry; Nalewajski, R. F., Ed.; Springer: Heidelberg, Germany, 1996.
-
(1996)
Springer Series: Topics in Current Chemistry
-
-
Gross, E.U.K.1
Dobson, J.F.2
Petersilka, M.3
-
74
-
-
4243553426
-
-
Becke, A. Phys. Rev. 1988, 38, 3098-3100.
-
(1988)
Phys. Rev
, vol.38
, pp. 3098-3100
-
-
Becke, A.1
-
75
-
-
5944261746
-
-
Perdew, J. P. Phys. Rev. 1986, 33, 8822-8824, Erratum: PRB 347406, 1986.
-
Perdew, J. P. Phys. Rev. 1986, 33, 8822-8824, Erratum: PRB 347406), 1986.
-
-
-
-
76
-
-
0001297864
-
-
Gritsenko, O. V.; Schipper, P. R. T.; Baerends, E. J. Chem. Phys. Lett. 1999, 302, 199-207.
-
(1999)
J. Chem. Phys. Lett
, vol.302
, pp. 199-207
-
-
Gritsenko, O.V.1
Schipper, P.R.T.2
Baerends, E.3
-
77
-
-
0000211269
-
-
Schipper, P. R. T.; Gritsenko, O. V.; van Gisbergen, S. J. A.; Baerends, E. J. J. Chem. Phys. 2000, 112, 1344-1352.
-
(2000)
J. Chem. Phys
, vol.112
, pp. 1344-1352
-
-
Schipper, P.R.T.1
Gritsenko, O.V.2
van Gisbergen, S.J.A.3
Baerends, E.J.4
-
78
-
-
0035810497
-
-
Rosa, A.; Ricciardi, G.; Baerends, E. J.; van Gisbergen, S. J. A. J. Phys. Chem. A 2001, 105, 3311-3327.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 3311-3327
-
-
Rosa, A.1
Ricciardi, G.2
Baerends, E.J.3
van Gisbergen, S.J.A.4
-
80
-
-
44349101556
-
-
Ph.D. Thesis, Vrije University, Amsterdam, The Netherlands
-
van Gisbergen, S. J. A. Ph.D. Thesis, Vrije University, Amsterdam, The Netherlands, 1999.
-
(1999)
-
-
van Gisbergen, S.J.A.1
-
81
-
-
4944241895
-
-
Miwa, H.; Ishii, K.; Kobayashi, N Chem. - Eur. J. 2004, 10, 4422-4435.
-
(2004)
Chem. - Eur. J
, vol.10
, pp. 4422-4435
-
-
Miwa, H.1
Ishii, K.2
Kobayashi, N.3
-
82
-
-
0001339694
-
-
Ough, E.; Nyokong, T.; Creber, K. A. M.; Stillman, M. J. Inorg. Chem. 1988, 27, 2724-2732.
-
(1988)
Inorg. Chem
, vol.27
, pp. 2724-2732
-
-
Ough, E.1
Nyokong, T.2
Creber, K.A.M.3
Stillman, M.J.4
-
83
-
-
0001354245
-
-
Nyokong, T.; Gazyna, Z.; Stillman, M. J. Inorg. Chem. 1987, 26, 1087.
-
(1987)
Inorg. Chem
, vol.26
, pp. 1087
-
-
Nyokong, T.1
Gazyna, Z.2
Stillman, M.J.3
|