-
1
-
-
79251548944
-
-
Cucciolito, M. E.; De Felice, V.; Roviello, G.; Ruffo, F. Eur. J. Inorg. Chem. 2011, 457-469
-
(2011)
Eur. J. Inorg. Chem.
, pp. 457-469
-
-
Cucciolito, M.E.1
De Felice, V.2
Roviello, G.3
Ruffo, F.4
-
3
-
-
23944435528
-
-
Wang, X.-S.; Zhao, H.; Li, Y.-H.; Xiong, R.-G.; You, X.-Z. Top. Catal. 2005, 35, 43-61
-
(2005)
Top. Catal.
, vol.35
, pp. 43-61
-
-
Wang, X.-S.1
Zhao, H.2
Li, Y.-H.3
Xiong, R.-G.4
You, X.-Z.5
-
10
-
-
4644220342
-
-
Maire, P.; Deblon, S.; Breher, B.; Geier, J.; Böhler, C.; Rüegger, H.; Schönberg, H.; Grützmacher, H. Chem. Eur. J. 2004, 10, 4198-4205
-
(2004)
Chem. Eur. J.
, vol.10
, pp. 4198-4205
-
-
Maire, P.1
Deblon, S.2
Breher, B.3
Geier, J.4
Böhler, C.5
Rüegger, H.6
Schönberg, H.7
Grützmacher, H.8
-
11
-
-
33746840088
-
-
Piras, E.; Läng, F.; Rüegger, H.; Stein, D.; Wörle, M.; Grützmacher, H. Chem. Eur. J. 2006, 12, 5849-5858
-
(2006)
Chem. Eur. J.
, vol.12
, pp. 5849-5858
-
-
Piras, E.1
Läng, F.2
Rüegger, H.3
Stein, D.4
Wörle, M.5
Grützmacher, H.6
-
12
-
-
77954853611
-
-
Ferrer, C.; Benet-Buchholz, J.; Riera, A.; Verdaguer, X. Chem. Eur. J. 2010, 16, 8340-8346
-
(2010)
Chem. Eur. J.
, vol.16
, pp. 8340-8346
-
-
Ferrer, C.1
Benet-Buchholz, J.2
Riera, A.3
Verdaguer, X.4
-
13
-
-
0141450342
-
-
Hayashi, T.; Ueyama, K.; Tokunaga, N.; Yoshida, K. J. Am. Chem. Soc. 2003, 125, 11508-11509
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 11508-11509
-
-
Hayashi, T.1
Ueyama, K.2
Tokunaga, N.3
Yoshida, K.4
-
14
-
-
1242276444
-
-
Fischer, C.; Defieber, C.; Suzuki, T.; Carreira, E. M. J. Am. Chem. Soc. 2004, 126, 1628-1629
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 1628-1629
-
-
Fischer, C.1
Defieber, C.2
Suzuki, T.3
Carreira, E.M.4
-
15
-
-
74849110259
-
-
Puschmann, F. F.; Grützmacher, H.; de Bruin, B. J. Am. Chem. Soc. 2010, 132, 73-75
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 73-75
-
-
Puschmann, F.F.1
Grützmacher, H.2
De Bruin, B.3
-
16
-
-
0035186757
-
-
Böhler, C.; Avarvari, N.; Schönberg, H.; Wörle, M.; Rüegger, H.; Grützmacher, H. Helv. Chim. Acta 2001, 84, 3127-3147
-
(2001)
Helv. Chim. Acta
, vol.84
, pp. 3127-3147
-
-
Böhler, C.1
Avarvari, N.2
Schönberg, H.3
Wörle, M.4
Rüegger, H.5
Grützmacher, H.6
-
17
-
-
33749859607
-
-
Thoumazet, C.; Grützmacher, H.; Deschamps, B.; Ricard, L.; le Floch, P. Eur. J. Inorg. Chem. 2006, 3911-3922
-
(2006)
Eur. J. Inorg. Chem.
, pp. 3911-3922
-
-
Thoumazet, C.1
Grützmacher, H.2
Deschamps, B.3
Ricard, L.4
Le Floch, P.5
-
18
-
-
84859438530
-
-
Narui, R.; Hayashi, S.; Otomo, H.; Shintani, R.; Hayashi, T. Tetrahedron: Asymmetry 2012, 23, 284-293
-
(2012)
Tetrahedron: Asymmetry
, vol.23
, pp. 284-293
-
-
Narui, R.1
Hayashi, S.2
Otomo, H.3
Shintani, R.4
Hayashi, T.5
-
19
-
-
0032564885
-
-
Bernard, M.; Guiral, V.; Delbecq, F.; Fache, F.; Sautel, P.; Lemaire, M. J. Am. Chem. Soc. 1998, 120, 1441-1446
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 1441-1446
-
-
Bernard, M.1
Guiral, V.2
Delbecq, F.3
Fache, F.4
Sautel, P.5
Lemaire, M.6
-
20
-
-
49049101971
-
-
For a review on the use of chiral olefins and related chiral hetero bidentate amine-olefin and phosphane-olefin ligands in asymmetric catalysis, see: Defieber, C.; Grützmacher, H.; Carreira, E. M. Angew. Chem., Int. Ed. 2008, 47, 4482-4502
-
(2008)
Angew. Chem., Int. Ed.
, vol.47
, pp. 4482-4502
-
-
Defieber, C.1
Grützmacher, H.2
Carreira, E.M.3
-
22
-
-
73349127037
-
-
Puschmann, F. F.; Harmer, J.; Stein, D.; Rüegger, H.; de Bruin, B.; Grützmacher, H. Angew. Chem., Int. Ed. 2010, 49, 385-389
-
(2010)
Angew. Chem., Int. Ed.
, vol.49
, pp. 385-389
-
-
Puschmann, F.F.1
Harmer, J.2
Stein, D.3
Rüegger, H.4
De Bruin, B.5
Grützmacher, H.6
-
23
-
-
74849110259
-
-
Puschmann, F. F.; Grützmacher, H.; de Bruin, B. J. Am. Chem. Soc. 2010, 132, 73-75
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 73-75
-
-
Puschmann, F.F.1
Grützmacher, H.2
De Bruin, B.3
-
24
-
-
84872912494
-
-
Piras, E.; Läng, F.; Rüegger, H.; Stein, D.; Wörle, M.; Grützmacher, H. Chem. Eur. J. 2006, 12, 5649-5858
-
(2006)
Chem. Eur. J.
, vol.12
, pp. 5649-5858
-
-
Piras, E.1
Läng, F.2
Rüegger, H.3
Stein, D.4
Wörle, M.5
Grützmacher, H.6
-
25
-
-
84860340951
-
-
Campos, J.; López-Serrano, J.; álvarez, E.; Carmona, E. J. Am. Chem. Soc. 2012, 134, 7165-7175
-
(2012)
J. Am. Chem. Soc.
, vol.134
, pp. 7165-7175
-
-
Campos, J.1
López-Serrano, J.2
Álvarez, E.3
Carmona, E.4
-
26
-
-
79959512390
-
-
Lyaskovskyy, V.; Elders, N.; Ehlers, A. W.; Lutz, M.; Slootweg, J. C.; Lammertsma, K. J. Am. Chem. Soc. 2011, 133, 9704-9707
-
(2011)
J. Am. Chem. Soc.
, vol.133
, pp. 9704-9707
-
-
Lyaskovskyy, V.1
Elders, N.2
Ehlers, A.W.3
Lutz, M.4
Slootweg, J.C.5
Lammertsma, K.6
-
27
-
-
75749157374
-
-
Jansen, H.; Samuels, M. C.; Couzijn, E. P. A.; Slootweg, J. C.; Ehlers, A. W.; Chen, P.; Lammertsma, K. Chem. Eur. J. 2010, 16, 1454-1458
-
(2010)
Chem. Eur. J.
, vol.16
, pp. 1454-1458
-
-
Jansen, H.1
Samuels, M.C.2
Couzijn, E.P.A.3
Slootweg, J.C.4
Ehlers, A.W.5
Chen, P.6
Lammertsma, K.7
-
28
-
-
17744397747
-
-
Borst, M. L. G.; Bulo, R. E.; Winkel, C. W.; Gibney, D. J.; Ehlers, A. W.; Schakel, M.; Lutz, M.; Spek, A. L.; Lammertsma, K. J. Am. Chem. Soc. 2005, 127, 5800-5801
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 5800-5801
-
-
Borst, M.L.G.1
Bulo, R.E.2
Winkel, C.W.3
Gibney, D.J.4
Ehlers, A.W.5
Schakel, M.6
Lutz, M.7
Spek, A.L.8
Lammertsma, K.9
-
29
-
-
84985560967
-
-
Märkl, G.; Burger, W. Angew. Chem., Int. Ed. Engl. 1984, 23, 894-895
-
(1984)
Angew. Chem., Int. Ed. Engl.
, vol.23
, pp. 894-895
-
-
Märkl, G.1
Burger, W.2
-
30
-
-
78650634665
-
-
Jansen, H.; Slootweg, J. C.; Ehlers, A. W.; Lammertsma, K. Organometallics 2010, 29, 6653-6659
-
(2010)
Organometallics
, vol.29
, pp. 6653-6659
-
-
Jansen, H.1
Slootweg, J.C.2
Ehlers, A.W.3
Lammertsma, K.4
-
31
-
-
0342904138
-
-
Yasuike, S.; Kiharada, T.; Kurita, J.; Tsuchiya, T. Chem. Commun. 1996, 2183-2184
-
(1996)
Chem. Commun.
, pp. 2183-2184
-
-
Yasuike, S.1
Kiharada, T.2
Kurita, J.3
Tsuchiya, T.4
-
32
-
-
50549103107
-
-
Kassaee, M. Z.; Cheshmehkani, A.; Musavi, S. M.; Majdi, M.; Motamedi, E. J. Mol. Struct. (THEOCHEM) 2008, 865, 73-78
-
(2008)
J. Mol. Struct. (THEOCHEM)
, vol.865
, pp. 73-78
-
-
Kassaee, M.Z.1
Cheshmehkani, A.2
Musavi, S.M.3
Majdi, M.4
Motamedi, E.5
-
34
-
-
2942692384
-
-
Yasuike, S.; Kiharada, T.; Tsuchiya, T.; Kurita J Chem. Pharm. Bull. 2003, 51, 1283-1288
-
(2003)
Chem. Pharm. Bull.
, vol.51
, pp. 1283-1288
-
-
Yasuike, S.1
Kiharada, T.2
Tsuchiya, T.3
Kurita, J.4
-
35
-
-
0025850328
-
-
Kurita, J.; Shiratori, S.; Yasuike, S.; Tsuchiya, T. J. Chem. Soc., Chem. Commun. 1991, 1227-1228
-
(1991)
J. Chem. Soc., Chem. Commun.
, pp. 1227-1228
-
-
Kurita, J.1
Shiratori, S.2
Yasuike, S.3
Tsuchiya, T.4
-
36
-
-
37049074585
-
-
Yasuike, S.; Ohta, H.; Shiratori, S.; Kurita, J.; Tsuchiya, T. J. Chem. Soc., Chem. Commun. 1993, 1817-1819
-
(1993)
J. Chem. Soc., Chem. Commun.
, pp. 1817-1819
-
-
Yasuike, S.1
Ohta, H.2
Shiratori, S.3
Kurita, J.4
Tsuchiya, T.5
-
37
-
-
0012007478
-
-
Alternatively, dibenzophosphepines can be first converted to the corresponding phosphane oxides, followed by purification and subsequent reduction to the phosphanes with silanes: Segall, Y.; Shirin, E.; Granoth, I. Phosphorus, Sulfur, Silicon Relat. Elem. 1980, 8, 243-254
-
(1980)
Phosphorus, Sulfur, Silicon Relat. Elem.
, vol.8
, pp. 243-254
-
-
Segall, Y.1
Shirin, E.2
Granoth, I.3
-
39
-
-
15744375697
-
-
Gaussian, Inc. Wallingford, CT.
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, Revision C.02; Gaussian, Inc., Wallingford, CT, 2004.
-
(2004)
Gaussian 03, Revision C.02
-
-
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, X.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..
-
40
-
-
13644250684
-
-
Hetterscheid, D. G. H.; Kaiser, J.; Reijerse, E.; Peters, T. P. J.; Thewissen, S.; Blok, A. N. J.; Smits, J. M. M.; de Gelder, R.; de Bruin, B. J. Am. Chem. Soc. 2005, 127, 1895-1905
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 1895-1905
-
-
Hetterscheid, D.G.H.1
Kaiser, J.2
Reijerse, E.3
Peters, T.P.J.4
Thewissen, S.5
Blok, A.N.J.6
Smits, J.M.M.7
De Gelder, R.8
De Bruin, B.9
-
41
-
-
0037124791
-
-
de Bruin, B.; Peters, T. P. J.; Thewissen, S.; Blok, A. N. J.; Wilting, J. B. M.; de Gelder, R.; Smits, J. M. M.; Gal, A. W. Angew. Chem., Int. Ed. 2002, 41, 2135-2138
-
(2002)
Angew. Chem., Int. Ed.
, vol.41
, pp. 2135-2138
-
-
De Bruin, B.1
Peters, T.P.J.2
Thewissen, S.3
Blok, A.N.J.4
Wilting, J.B.M.5
De Gelder, R.6
Smits, J.M.M.7
Gal, A.W.8
-
42
-
-
15344342280
-
-
Hetterscheid, D. G. H.; Bens, M.; de Bruin, B. Dalton Trans. 2005, 5, 979-984
-
(2005)
Dalton Trans.
, vol.5
, pp. 979-984
-
-
Hetterscheid, D.G.H.1
Bens, M.2
De Bruin, B.3
-
44
-
-
34548711787
-
-
Review: Hetterscheid, D. G. H.; Grützmacher, H.; Koekoek, A. J. J.; de Bruin, B. Prog. Inorg. Chem. 2007, 55, 247-253
-
(2007)
Prog. Inorg. Chem.
, vol.55
, pp. 247-253
-
-
Hetterscheid, D.G.H.1
Grützmacher, H.2
Koekoek, A.J.J.3
De Bruin, B.4
-
46
-
-
80053954556
-
-
Forum Issue on Redox Non-Innocent Ligands: Inorg. Chem., 2011, 50, 9737.
-
(2011)
Inorg. Chem.
, vol.50
, pp. 9737
-
-
-
47
-
-
84856046875
-
-
Special issue on "Cooperative & Redox Non-Innocent Ligands in Directing Organometallic Reactivity".
-
Special issue on "Cooperative & Redox Non-Innocent Ligands in Directing Organometallic Reactivity": Eur. J. Inorg. Chem. 2012, 3, 340.
-
(2012)
Eur. J. Inorg. Chem.
, vol.3
, pp. 340
-
-
-
50
-
-
0003984036
-
-
Neese, F. Max-Planck-Insitut für Bioanorganische Chemie, Mülheim an der Ruhr, Germany.
-
Neese, F. ORCA-an ab initio, Density Functional and Semiempirical program package, Version 2.9; Max-Planck-Insitut für Bioanorganische Chemie, Mülheim an der Ruhr, Germany, 2009.
-
(2009)
ORCA-an Ab Initio, Density Functional and Semiempirical Program Package, Version 2.9
-
-
-
52
-
-
84872950384
-
-
Theoretical Chemistry Group, University of Karlsruhe, Karlsruhe, Germany.
-
Ahlrichs, R.; Bär, M.; Baron, H.-P.; Bauernschmitt, R.; Böcker, S.; Ehrig, M.; Eichkorn, K.; Elliott, S.; Furche, F.; Haase, F.; Häser, M.; Hättig, C.; Horn, H.; Huber, C.; Huniar, U.; Kattannek, M.; Köhn, A.; Kölmel, C.; Kollwitz, M.; May, K.; Ochsenfeld, C.; Öhm, H.; Schäfer, A.; Schneider, U.; Treutler, O.; Tsereteli, K.; Unterreiner, B.; von Arnim, M.; Weigend, F.; Weis, P.; Weiss, H. Turbomole Version 5, January 2002; Theoretical Chemistry Group, University of Karlsruhe, Karlsruhe, Germany, 2002.
-
(2002)
Turbomole Version 5, January 2002
-
-
Ahlrichs, R.1
Bär, M.2
Baron, H.-P.3
Bauernschmitt, R.4
Böcker, S.5
Ehrig, M.6
Eichkorn, K.7
Elliott, S.8
Furche, F.9
Haase, F.10
Häser, M.11
Hättig, C.12
Horn, H.13
Huber, C.14
Huniar, U.15
Kattannek, M.16
Köhn, A.17
Kölmel, C.18
Kollwitz, M.19
May, K.20
Ochsenfeld, C.21
Öhm, H.22
Schäfer, A.23
Schneider, U.24
Treutler, O.25
Tsereteli, K.26
Unterreiner, B.27
Von Arnim, M.28
Weigend, F.29
Weis, P.30
Weiss, H.31
more..
-
54
-
-
84872917526
-
-
Turbomole basis set library, Turbomole Version 5; see ref 21a.
-
Turbomole basis set library, Turbomole Version 5; see ref 21a.
-
-
-
-
55
-
-
26344435738
-
-
Schäfer, A.; Horn, H.; Ahlrichs, R. J. Chem. Phys. 1992, 97, 2571-2577
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 2571-2577
-
-
Schäfer, A.1
Horn, H.2
Ahlrichs, R.3
-
56
-
-
11744322674
-
-
Andrae, D.; Haeussermann, U.; Dolg, M.; Stoll, H.; Preuss, H. 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
-
57
-
-
0039209924
-
-
Schäfer, A.; Huber, C.; Ahlrichs, R. J. Chem. Phys. 1994, 100, 5829-5835
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 5829-5835
-
-
Schäfer, A.1
Huber, C.2
Ahlrichs, R.3
-
58
-
-
37049096497
-
-
Addison, A. W.; Rao, T. N.; Reedijk, J.; van Rijn, J.; Verschoor, G. C. Dalton Trans. 1984, 1349-1356
-
(1984)
Dalton Trans.
, pp. 1349-1356
-
-
Addison, A.W.1
Rao, T.N.2
Reedijk, J.3
Van Rijn, J.4
Verschoor, G.C.5
-
59
-
-
34250155663
-
-
de Bruin, B.; Russcher, J. C.; Grützmacher, H. J. Organomet. Chem. 2007, 692, 3167-3173 and references therein
-
(2007)
J. Organomet. Chem.
, vol.692
, pp. 3167-3173
-
-
De Bruin, B.1
Russcher, J.C.2
Grützmacher, H.3
-
60
-
-
0026260717
-
-
Krejčik, M.; Daněk, M.; Hartl, F. J. Electroanal. Chem. 1991, 317, 179-187
-
(1991)
J. Electroanal. Chem.
, vol.317
, pp. 179-187
-
-
Krejčik, M.1
Daněk, M.2
Hartl, F.3
-
61
-
-
0037170644
-
-
Dunne, E. C.; Coyne, é. J.; Crowley, P. B.; Gilheany, D. G. Tetrahedron Lett. 2002, 43, 2449-2453
-
(2002)
Tetrahedron Lett.
, vol.43
, pp. 2449-2453
-
-
Dunne, E.C.1
Coyne É., J.2
Crowley, P.B.3
Gilheany, D.G.4
-
64
-
-
23244460838
-
-
Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Phys. Rev. B 1992, 46, 6671-6687
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6671-6687
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
66
-
-
0002851019
-
Unified Theory of Exchange and Correlation beyond the Local Density Approximation
-
Ziesche, P. Eschrig, H. Akademie Verlag: Berlin
-
Perdew, J. P. Unified Theory of Exchange and Correlation Beyond the Local Density Approximation. In Electronic Structure of Solids; Ziesche, P.; Eschrig, H., Eds.; Akademie Verlag: Berlin, 1991; Vol. 11.
-
(1991)
Electronic Structure of Solids
, vol.11
-
-
Perdew, J.P.1
-
67
-
-
23244460838
-
-
Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Phys. Rev. B 1992, 46, 6671-6687
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6671-6687
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
68
-
-
2842565972
-
-
Perdew, J. P.; Burke, K.; Wang, Y. Phys. Rev. B 1996, 54, 16533-16539
-
(1996)
Phys. Rev. B
, vol.54
, pp. 16533-16539
-
-
Perdew, J.P.1
Burke, K.2
Wang, Y.3
-
69
-
-
0002017297
-
Derivation of a Generalized Gradient Approximation: The PW91 Density Functional
-
Dobson, J. F. Vignale, G. Das, M. P. Plenum: New York
-
Burke, K.; Perdew, J. P.; Wang, Y. Derivation of a Generalized Gradient Approximation: The PW91 Density Functional. In Electronic Density Functional Theory and New Directions; Dobson, J. F.; Vignale, G.; Das, M. P., Eds.; Plenum: New York, 1998; Vol. 81.
-
(1998)
Electronic Density Functional Theory and New Directions
, vol.81
-
-
Burke, K.1
Perdew, J.P.2
Wang, Y.3
-
71
-
-
0038809151
-
-
Parallel Quantum Solutions, Fayetteville, AK, 2001 (the Baker optimizer is available separately from PQS upon request).
-
PQS version 2.4; Parallel Quantum Solutions, Fayetteville, AK, 2001 (the Baker optimizer is available separately from PQS upon request).
-
PQS Version 2.4
-
-
-
73
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785-789
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
76
-
-
0001368303
-
-
van Lenthe, E.; van der Avoird, A.; Wormer, P. E. S. J. Chem. Phys. 1997, 107, 2488-2498
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 2488-2498
-
-
Van Lenthe, E.1
Van Der Avoird, A.2
Wormer, P.E.S.3
-
77
-
-
0000092151
-
-
van Lenthe, E.; van der Avoird, A.; Wormer, P. E. S. J. Chem. Phys. 1998, 108, 4783-4796
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 4783-4796
-
-
Van Lenthe, E.1
Van Der Avoird, A.2
Wormer, P.E.S.3
-
79
-
-
84966781578
-
-
Miller, J. S. Drillon, M. Wiley: New York
-
Neese, F.; Solomon, E. In Magnetoscience-From Molecules to Materials; Miller, J. S.; Drillon, M., Eds.; Wiley: New York, 2003; pp 345-466.
-
(2003)
Magnetoscience-From Molecules to Materials
, pp. 345-466
-
-
Neese, F.1
Solomon, E.2
-
80
-
-
0001149134
-
-
Peng, G.; Nichols, J.; McCullough, E. A.; Spence, J. Inorg. Chem. 1994, 33, 2857-2864
-
(1994)
Inorg. Chem.
, vol.33
, pp. 2857-2864
-
-
Peng, G.1
Nichols, J.2
McCullough, E.A.3
Spence, J.4
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