-
2
-
-
0034710655
-
-
Khriachtchev, L.; Pettersson, M.; Runeberg, N.; Lundell, J.; Rasanen, M. Nature 2000, 406 (6798), 874-876.
-
(2000)
Nature
, vol.406
, Issue.6798
, pp. 874-876
-
-
Khriachtchev, L.1
Pettersson, M.2
Runeberg, N.3
Lundell, J.4
Rasanen, M.5
-
5
-
-
0034725367
-
-
Evans, C. J.; Lesarri, A.; Gerry, M. C. L. J. Am. Chem. Soc. 2000, 122 (25), 6100-6105.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, Issue.25
, pp. 6100-6105
-
-
Evans, C.J.1
Lesarri, A.2
Gerry, M.C.L.3
-
6
-
-
0034665599
-
-
Evans, C. J.; Rubinoff, D. S.; Gerry, M. C. L. Phys. Chem. Chem. Phys. 2000, 2 (18), 3943-3948.
-
(2000)
Phys. Chem. Chem. Phys.
, vol.2
, Issue.18
, pp. 3943-3948
-
-
Evans, C.J.1
Rubinoff, D.S.2
Gerry, M.C.L.3
-
7
-
-
0034608846
-
-
Wong, M. W. J. Am. Chem. Soc. 2000, 122 (26), 6289-6290.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, Issue.26
, pp. 6289-6290
-
-
Wong, M.W.1
-
10
-
-
0035273299
-
-
Reynard, L. M.; Evans, C. J.; Gerry, M. C. L. J. Mol. Spectrosc. 2001, 206 (1), 33-40.
-
(2001)
J. Mol. Spectrosc.
, vol.206
, Issue.1
, pp. 33-40
-
-
Reynard, L.M.1
Evans, C.J.2
Gerry, M.C.L.3
-
11
-
-
0942276307
-
-
Thomas, J. M.; Walker, N. R.; Cooke, S. A.; Gerry, M. C. L. J. Am Chem. Soc. 2004, 126 (4), 1235-1246.
-
(2004)
J. Am Chem. Soc.
, vol.126
, Issue.4
, pp. 1235-1246
-
-
Thomas, J.M.1
Walker, N.R.2
Cooke, S.A.3
Gerry, M.C.L.4
-
12
-
-
0037104773
-
-
Wilson, D. J. D.; Marsden, C. J.; von Nagy-Felsobuki, E. I. J. Phys. Chem. A 2002, 106 (32), 7348-7354.
-
(2002)
J. Phys. Chem. A
, vol.106
, Issue.32
, pp. 7348-7354
-
-
Wilson, D.J.D.1
Marsden, C.J.2
Von Nagy-Felsobuki, E.I.3
-
13
-
-
16244363170
-
-
414
-
Huang, W.-y.; Feng, E.-y.; Ji, X.-h.; Cui, Z.-f. Yuanzi Yu Fenzi Wuli Xuebao 2004, 21 (3), 406-410, 414.
-
(2004)
Yuanzi Yu Fenzi Wuli Xuebao
, vol.21
, Issue.3
, pp. 406-410
-
-
Huang, W.-Y.1
Feng, E.-Y.2
Ji, X.-H.3
Cui, Z.-F.4
-
14
-
-
16244415227
-
-
Borocci, S.; Bronzolino, N.; Grandinetti, F. Chem. Phys. Lett. 2005, 406(1-3), 179-183.
-
(2005)
Chem. Phys. Lett.
, vol.406
, Issue.1-3
, pp. 179-183
-
-
Borocci, S.1
Bronzolino, N.2
Grandinetti, F.3
-
15
-
-
33745700733
-
-
Borocci, S.; Bronzolino, N.; Grandinetti, F. Chem.-A Euro. J. 2006, 12 (19), 5033-5042.
-
(2006)
Chem.-A Euro. J.
, vol.12
, Issue.19
, pp. 5033-5042
-
-
Borocci, S.1
Bronzolino, N.2
Grandinetti, F.3
-
16
-
-
34247208524
-
-
Liu, Y.-L.; Chang, Y.-H.; Li, T.-H.; Chen, H.-R.; Hu, W.-P. Chem. Phys. Lett. 2007, 439 (1-3), 14-17.
-
(2007)
Chem. Phys. Lett.
, vol.439
, Issue.1-3
, pp. 14-17
-
-
Liu, Y.-L.1
Chang, Y.-H.2
Li, T.-H.3
Chen, H.-R.4
Hu, W.-P.5
-
17
-
-
39749173670
-
-
Takayanagi, T.; Motegi, H.; Taketsugu, Y.; Taketsugu, T. Chem. Phys. Lett. 2008, 454 (1-3), 1-6.
-
(2008)
Chem. Phys. Lett.
, vol.454
, Issue.1-3
, pp. 1-6
-
-
Takayanagi, T.1
Motegi, H.2
Taketsugu, Y.3
Taketsugu, T.4
-
21
-
-
0042434872
-
-
Koch, W.; Frenking, G.; Gauss, J.; Cremer, D.; Collins, J. R. J. Am. Chem. Soc. 1987, 109 (20), 5917-5934.
-
(1987)
J. Am. Chem. Soc.
, vol.109
, Issue.20
, pp. 5917-5934
-
-
Koch, W.1
Frenking, G.2
Gauss, J.3
Cremer, D.4
Collins, J.R.5
-
22
-
-
33845280004
-
-
Frenking, G.; Koch, W.; Gauss, J.; Cremer, D. J. Am. Chem. Soc. 1988, 110 (24), 8007-8016
-
(1988)
J. Am. Chem. Soc.
, vol.110
, Issue.24
, pp. 8007-8016
-
-
Frenking, G.1
Koch, W.2
Gauss, J.3
Cremer, D.4
-
23
-
-
33845184852
-
-
Frenking, G.; Koch, W.; Cremer, D.; Gauss, J.; Liebman, J. F. J. Phys. Chem. 1989, 93 (9), 3397-3410.
-
(1989)
J. Phys. Chem.
, vol.93
, Issue.9
, pp. 3397-3410
-
-
Frenking, G.1
Koch, W.2
Cremer, D.3
Gauss, J.4
Liebman, J.F.5
-
25
-
-
0001573916
-
-
Frenking, G.; Koch, W.; Reichel, F.; Cremer, D. J. Am. Chem. Soc. 1990, 112 (11), 4240-11256
-
(1990)
J. Am. Chem. Soc.
, vol.112
, Issue.11
, pp. 4240-11256
-
-
Frenking, G.1
Koch, W.2
Reichel, F.3
Cremer, D.4
-
26
-
-
0001172014
-
-
Koch, W.; Collins, J. R.; Frenking, G. Chem. Phys. Lett. 1986, 132 (3), 330-333.
-
(1986)
Chem. Phys. Lett.
, vol.132
, Issue.3
, pp. 330-333
-
-
Koch, W.1
Collins, J.R.2
Frenking, G.3
-
28
-
-
56949087862
-
-
Motegi, H.; Kakizaki, A.; Takayanagi, T.; Taketsugu, Y.; Takesugu, T.; Shiga, M. Chem. Phys. 2008, 354 (1-3), 38-43.
-
(2008)
Chem. Phys.
, vol.354
, Issue.1-3
, pp. 38-43
-
-
Motegi, H.1
Kakizaki, A.2
Takayanagi, T.3
Taketsugu, Y.4
Takesugu, T.5
Shiga, M.6
-
29
-
-
0001306484
-
-
Frenking, G.; Koch, W.; Cremer, D.; Gauss, J.; Liebman, J. F. J. Phys. Chem. 1989, 93 (9), 3410-3418.
-
(1989)
J. Phys. Chem.
, vol.93
, Issue.9
, pp. 3410-3418
-
-
Frenking, G.1
Koch, W.2
Cremer, D.3
Gauss, J.4
Liebman, J.F.5
-
30
-
-
72249084707
-
-
Zou, W. L.; Liu, Y.; Boggs, J. E. Chem. Phys. Lett. 2009, 482 (4-6), 207-210.
-
(2009)
Chem. Phys. Lett.
, vol.482
, Issue.4-6
, pp. 207-210
-
-
Zou, W.L.1
Liu, Y.2
Boggs, J.E.3
-
31
-
-
72149118456
-
-
Chen, R.; Zhu, H.; Xie, D. Q.; Yan, G. S. Sci. China Ser., B 2009, 52(11), 1987-1990.
-
(2009)
Sci. China Ser., B
, vol.52
, Issue.11
, pp. 1987-1990
-
-
Chen, R.1
Zhu, H.2
Xie, D.Q.3
Yan, G.S.4
-
32
-
-
77950226323
-
-
a package of ab initio programs
-
Werner, H.-J.; Schütz, P. J. K., M.; Lindh, R.; Celani, P.; Korona, T.; Rauhut, G.; Manby, F. R.; Amos, R. D.; Bernhardsson, A.; Berning, A.; Cooper, D. L.; Deegan, M. J. O.; Dobbyn, A. J.; Eckert, F.; Hampel, C.; Hetzer, G.; Lloyd, A. W.; McNicholas, S. J.; Meyer, W.; Mura, M. E.; Nicklas, A.; Palmieri, P.; Pitzer, R.; Schumann, U.; Stoll, H.; Stone, A. J.; Tarroni, R.; Thorsteinsson, R. MOLPRO, a package of ab initio programs, 2002.2; 2002.
-
(2002)
MOLPRO
, vol.2
, pp. 2002
-
-
Werner, H.-J.1
Schütz, P.J.K.M.2
Lindh, R.3
Celani, P.4
Korona, T.5
Rauhut, G.6
Manby, F.R.7
Amos, R.D.8
Bernhardsson, A.9
Berning, A.10
Cooper, D.L.11
Deegan, M.J.O.12
Dobbyn, A.J.13
Eckert, F.14
Hampel, C.15
Hetzer, G.16
Lloyd, A.W.17
McNicholas, S.J.18
Meyer, W.19
Mura, M.E.20
Nicklas, A.21
Palmieri, P.22
Pitzer, R.23
Schumann, U.24
Stoll, H.25
Stone, A.J.26
Tarroni, R.27
Thorsteinsson, R.28
more..
-
33
-
-
0038626673
-
-
Revision D.02; Gaussian Inc: Wallington 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.; Kiene, 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 D.02; Gaussian Inc: Wallington 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
Kiene, 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..
-
38
-
-
14544269397
-
-
Figgen, D.; Rauhut, G.; Dolg, M.; Stoll, H. Chem. Phys. 2005, 311 (1-2), 227-244.
-
(2005)
Chem. Phys.
, vol.311
, Issue.1-2
, pp. 227-244
-
-
Figgen, D.1
Rauhut, G.2
Dolg, M.3
Stoll, H.4
-
40
-
-
84881110722
-
-
Hoeft, J.; Lovas, F. J.; Tiemann, E.; Torring, T. Z. Naturfor. 1970, A 25 (1), 35-37.
-
(1970)
, vol.A25
, Issue.1
, pp. 35-37
-
-
Hoeft, J.1
Lovas, F.J.2
Tiemann, E.3
Naturfor, T.T.Z.4
-
41
-
-
0000227559
-
-
Manson, E. L.; Deluda, F. C.; Gordy, W. J. Chem. Phys. 1975, 62 (3), 1040-1043.
-
(1975)
J. Chem. Phys.
, vol.62
, Issue.3
, pp. 1040-1043
-
-
Manson, E.L.1
Deluda, F.C.2
Gordy, W.3
-
45
-
-
0032502389
-
-
Halkier, A.; Helgaker, T.; Jorgensen, P.; Klopper, W.; Koch, H.; Olsen, J.; Wilson, A. K. Chem. Phys. Lett. 1998, 286 (3-4), 243-252.
-
(1998)
Chem. Phys. Lett.
, vol.286
, Issue.3-4
, pp. 243-252
-
-
Halkier, A.1
Helgaker, T.2
Jorgensen, P.3
Klopper, W.4
Koch, H.5
Olsen, J.6
Wilson, A.K.7
-
48
-
-
65249161435
-
-
Version 3.09; Semichem: Shawnee Mission, KS
-
Dennington II, R.; Keith, T.; Millam, J.; Eppinnett, K.; Hovell, W. L.; Gilliland, R. Gauss View, Version 3.09; Semichem: Shawnee Mission, KS, 2003.
-
(2003)
Gauss View
-
-
Dennington, I.I.R.1
Keith, T.2
Millam, J.3
Eppinnett, K.4
Hovell, W.L.5
Gilliland, R.6
-
50
-
-
38349084434
-
-
Belpassi, L.; Infante, I.; Tarantelli, F.; Visscher, L. J. Am. Chem. Soc. 2008, 130 (3), 1048-1060.
-
(2008)
J. Am. Chem. Soc.
, vol.130
, Issue.3
, pp. 1048-1060
-
-
Belpassi, L.1
Infante, I.2
Tarantelli, F.3
Visscher, L.4
-
51
-
-
34547649665
-
-
DOI: 10.1063/1.2173991.
-
Ghanty, T. K. J. Chem. Phys. 2006, 124 (12), 124304 (DOI: 10.1063/1.2173991).
-
(2006)
J. Chem. Phys.
, vol.124
, Issue.12
, pp. 124304
-
-
Ghanty, T.K.1
-
52
-
-
58149289844
-
-
DOI: 10.1063/1.3043823
-
Mou, C. H.; Witek, H. A. J. Chem. Phys. 2008, 129 (24), 244310 (DOI: 10.1063/1.3043823).
-
(2008)
J. Chem. Phys.
, vol.129
, Issue.24
, pp. 244310
-
-
Mou, C.H.1
Witek, H.A.2
-
53
-
-
77950265908
-
-
http://www.theochem.uni-stuttgart.de/pseudopotentials.
-
-
-
-
54
-
-
2942741220
-
-
Michaud, J. M.; Cooke, S. A.; Gerry, M. C. L. Inorg. Chem. 2004, 43 (13), 3871-3881.
-
(2004)
Inorg. Chem.
, vol.43
, Issue.13
, pp. 3871-3881
-
-
Michaud, J.M.1
Cooke, S.A.2
Gerry, M.C.L.3
-
55
-
-
4744349320
-
-
Haaland, A.; Shorokhov, D. J.; Tverdova, N. V. Chem.-A Euro. J. 2004, 10 (18), 4416-4421.
-
(2004)
Chem.-A Euro. J.
, vol.10
, Issue.18
, pp. 4416-4421
-
-
Haaland, A.1
Shorokhov, D.J.2
Tverdova, N.V.3
-
56
-
-
0031139306
-
-
Pyykko, P. Chem. Rev. 1997, 97 (3), 597-636.
-
(1997)
Chem. Rev.
, vol.97
, Issue.3
, pp. 597-636
-
-
Pyykko, P.1
-
57
-
-
0038218089
-
-
Pyykko, P. Chem. Rev. 1988, 88 (3), 563-594.
-
(1988)
Chem. Rev.
, vol.88
, Issue.3
, pp. 563-594
-
-
Pyykko, P.1
-
58
-
-
0003944545
-
-
4th ed.; Harper-Collins: New York
-
Huheey, J. E.; Keiter, E. A.; Keiter, R. L., Inorganic Chemistry, Principles of Structure and Reactivity, 4th ed.; Harper-Collins: New York, 1993.
-
(1993)
Inorganic Chemistry, Principles of Structure and Reactivity
-
-
Huheey, J.E.1
Keiter, E.A.2
Keiter, R.L.3
-
59
-
-
0000501739
-
-
Bailar, J. C.; Emeleus, H. J.; Nyholm, R.; Trotman-Dickenson, A. F., Eds.; Pergamon: Oxford
-
Bartlett, M.; Sladký, F. O., In Comprehensive Inorganic Chemistry; Bailar, J. C.; Emeleus, H. J.; Nyholm, R.; Trotman-Dickenson, A. F., Eds.; Pergamon: Oxford, 1973; pp 213-330.
-
(1973)
Comprehensive Inorganic Chemistry
, pp. 213-330
-
-
Bartlett, M.1
Sladký, F.O.2
-
60
-
-
39349093378
-
-
DOI: 10.1063/1.2774977.
-
Yousef, A.; Shrestha, S.; Viehland, L. A.; Lee, E. P. F.; Gray, B. R.; Ayles, V. L.; Wright, T. G.; Breckenridge, W. H. J. Chem. Phys. 2007, 127(15), 154309 (DOI: 10.1063/1.2774977).
-
(2007)
J. Chem. Phys.
, vol.127
, Issue.15
, pp. 154309
-
-
Yousef, A.1
Shrestha, S.2
Viehland, L.A.3
Lee, E.P.F.4
Gray, B.R.5
Ayles, V.L.6
Wright, T.G.7
Breckenridge, W.H.8
-
61
-
-
77749292359
-
-
in press DOI: 10.1021/jp908477q.
-
Plowright, R. J.; Gardner, A. M.; Withers, C. D.; Wright, T. G.; Morse, M. D.; Breckenridge, W. H. J. Phys. Chem. A 2009, in press (DOI: 10.1021/jp908477q).
-
(2009)
J. Phys. Chem. A
-
-
Plowright, R.J.1
Gardner, A.M.2
Withers, C.D.3
Wright, T.G.4
Morse, M.D.5
Breckenridge, W.H.6
|