-
3
-
-
0034613371
-
-
Pyykkö, P. Science 2000, 290, 64-65
-
(2000)
Science
, vol.290
, pp. 64-65
-
-
Pyykkö, P.1
-
5
-
-
0037155580
-
-
Li, J.; Bursten, B. E.; Liang, B.; Andrews, L. Science 2002, 295, 2242-2245
-
(2002)
Science
, vol.295
, pp. 2242-2245
-
-
Li, J.1
Bursten, B.E.2
Liang, B.3
Andrews, L.4
-
7
-
-
67849097680
-
-
Muck, L. A.; Timoshkin, A. Y.; v. Hopffgarten, M.; Frenking, G. J. Am. Chem. Soc. 2009, 131, 3942-3949
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 3942-3949
-
-
Muck, L.A.1
Timoshkin, A.Y.2
Hopffgarten, M.V.3
Frenking, G.4
-
8
-
-
70350607993
-
-
Roithová, J.; Schröder, D. Angew. Chem., Int. Ed. 2009, 48, 8788-8790
-
(2009)
Angew. Chem., Int. Ed.
, vol.48
, pp. 8788-8790
-
-
Roithová, J.1
Schröder, D.2
-
9
-
-
77149131886
-
-
Lockyear, J. F.; Douglas, K.; Price, S. D.; Karkowska, M.; Fijalkowski, K. J.; Grochala, W.; Remeš, M.; Roithová, J.; Schröder, D. J. Phys. Chem. Lett. 2010, 1, 358-362
-
(2010)
J. Phys. Chem. Lett.
, vol.1
, pp. 358-362
-
-
Lockyear, J.F.1
Douglas, K.2
Price, S.D.3
Karkowska, M.4
Fijalkowski, K.J.5
Grochala, W.6
Remeš, M.7
Roithová, J.8
Schröder, D.9
-
12
-
-
61849178812
-
-
references therein
-
Khriachtchev, L.; Räsänen, M.; Gerber, R. B. Acc. Chem. Res. 2009, 42, 183-191 and references therein
-
(2009)
Acc. Chem. Res.
, vol.42
, pp. 183-191
-
-
Khriachtchev, L.1
Räsänen, M.2
Gerber, R.B.3
-
13
-
-
0034710655
-
-
Khriachtchev, L.; Pettersson, M.; Runeberg, N.; Lundell, J.; Räsänen, M. Nature 2000, 406, 874-876
-
(2000)
Nature
, vol.406
, pp. 874-876
-
-
Khriachtchev, L.1
Pettersson, M.2
Runeberg, N.3
Lundell, J.4
Räsänen, M.5
-
14
-
-
0034710680
-
-
Frenking, G. Nature 2000, 406, 836-837
-
(2000)
Nature
, vol.406
, pp. 836-837
-
-
Frenking, G.1
-
15
-
-
0037462079
-
-
Khriachtchev, L.; Tanskanen, H.; Lundell, J.; Pettersson, M.; Kiljunen, H.; Räsänen, M. J. Am. Chem. Soc. 2003, 125, 4696-4697
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 4696-4697
-
-
Khriachtchev, L.1
Tanskanen, H.2
Lundell, J.3
Pettersson, M.4
Kiljunen, H.5
Räsänen, M.6
-
16
-
-
43249086801
-
-
Khriachtchev, L.; Isokoski, K.; Cohen, A.; Räsänen, M.; Gerber, R. B. J. Am. Chem. Soc. 2008, 130, 6114-6118
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 6114-6118
-
-
Khriachtchev, L.1
Isokoski, K.2
Cohen, A.3
Räsänen, M.4
Gerber, R.B.5
-
18
-
-
58249116723
-
-
Jiménez-Halla, C. O. C.; Fernandez, I.; Frenking, G. Angew. Chem., Int. Ed. 2009, 48, 366-369
-
(2009)
Angew. Chem., Int. Ed.
, vol.48
, pp. 366-369
-
-
Jiménez-Halla, C.O.C.1
Fernandez, I.2
Frenking, G.3
-
19
-
-
36348999134
-
-
Yockel, S.; Gawlik, E.; Wilson, A. K. J. Phys. Chem. A 2007, 111, 11261-11268
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 11261-11268
-
-
Yockel, S.1
Gawlik, E.2
Wilson, A.K.3
-
22
-
-
0035128028
-
-
Runeberg, N.; Pettersson, M.; Khriachtchev, L.; Lundell, J.; Räsänen, M. J. Chem. Phys. 2001, 114, 836-841
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 836-841
-
-
Runeberg, N.1
Pettersson, M.2
Khriachtchev, L.3
Lundell, J.4
Räsänen, M.5
-
23
-
-
0035812384
-
-
Khriachtchev, L.; Pettersson, M.; Lignell, A.; Räsänen, M. J. Am. Chem. Soc. 2001, 123, 8610-8611
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 8610-8611
-
-
Khriachtchev, L.1
Pettersson, M.2
Lignell, A.3
Räsänen, M.4
-
24
-
-
1642325126
-
-
Khriachtchev, L.; Lignell, A.; Räsänen, M. J. Chem. Phys. 2004, 120, 3353-3357
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 3353-3357
-
-
Khriachtchev, L.1
Lignell, A.2
Räsänen, M.3
-
25
-
-
0037040028
-
-
Pettersson, M.; Khriachtchev, L.; Lignell, A.; Räsänen, M.; Bihary, Z.; Gerber, R. B. J. Chem. Phys. 2002, 116, 2508-2515
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 2508-2515
-
-
Pettersson, M.1
Khriachtchev, L.2
Lignell, A.3
Räsänen, M.4
Bihary, Z.5
Gerber, R.B.6
-
26
-
-
0038116385
-
-
Lignell, A.; Khriachtchev, L.; Pettersson, M.; Räsänen, M. J. Chem. Phys. 2003, 118, 11120-11128
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 11120-11128
-
-
Lignell, A.1
Khriachtchev, L.2
Pettersson, M.3
Räsänen, M.4
-
27
-
-
2342509622
-
-
Khriachtchev, A. L.; Räsänen, M.; Pettersson, M. Chem. Phys. Lett. 2004, 390, 256-260
-
(2004)
Chem. Phys. Lett.
, vol.390
, pp. 256-260
-
-
Khriachtchev, A.L.1
Räsänen, M.2
Pettersson, M.3
-
28
-
-
41149149664
-
-
Bochenkova, A. V.; Khriachtchev, L.; Lignell, A.; Räsänen, M.; Lignell, H.; Granovsky, A. A.; Nemukhin, A. V. Phys. Rev. B 2008, 77, 094301/1-7
-
(2008)
Phys. Rev. B
, vol.77
-
-
Bochenkova, A.V.1
Khriachtchev, L.2
Lignell, A.3
Räsänen, M.4
Lignell, H.5
Granovsky, A.A.6
Nemukhin, A.V.7
-
29
-
-
16244379890
-
-
Bochenkova, A. V.; Firsov, D. A.; Nemukhin, A. V. Chem. Phys. Lett. 2005, 405, 165-171
-
(2005)
Chem. Phys. Lett.
, vol.405
, pp. 165-171
-
-
Bochenkova, A.V.1
Firsov, D.A.2
Nemukhin, A.V.3
-
30
-
-
0000936126
-
-
Lundell, J.; Chaban, G. M.; Gerber, R. B. Chem. Phys. Lett. 2000, 331, 308-316
-
(2000)
Chem. Phys. Lett.
, vol.331
, pp. 308-316
-
-
Lundell, J.1
Chaban, G.M.2
Gerber, R.B.3
-
31
-
-
0035935282
-
-
Chaban, G. M.; Lundell, J.; Gerber, R. B. J. Chem. Phys. 2001, 115, 7341-7343
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 7341-7343
-
-
Chaban, G.M.1
Lundell, J.2
Gerber, R.B.3
-
32
-
-
0037106303
-
-
Bihary, Z.; Chaban, G. M.; Gerber, R. B. J. Chem. Phys. 2002, 117, 5105-5108
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 5105-5108
-
-
Bihary, Z.1
Chaban, G.M.2
Gerber, R.B.3
-
33
-
-
0037120787
-
-
Chaban, G. M.; Lundell, J.; Gerber, R. B. Chem. Phys. Lett. 2002, 364, 628-633
-
(2002)
Chem. Phys. Lett.
, vol.364
, pp. 628-633
-
-
Chaban, G.M.1
Lundell, J.2
Gerber, R.B.3
-
34
-
-
0036537177
-
-
Bihary, Z.; Chaban, G. M.; Gerber, R. B. J. Chem. Phys. 2002, 116, 5521-5529
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 5521-5529
-
-
Bihary, Z.1
Chaban, G.M.2
Gerber, R.B.3
-
35
-
-
0346150000
-
-
Bihary, Z.; Chaban, G. M.; Gerber, R. B. J. Chem. Phys. 2003, 119, 11278-11284
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 11278-11284
-
-
Bihary, Z.1
Chaban, G.M.2
Gerber, R.B.3
-
36
-
-
0000411641
-
-
Berski, S.; Silvi, B.; Lundell, J.; Noury, S.; Latajka, Z. Prog. Theor. Chem. Phys. 2001, 1, 259-279
-
(2001)
Prog. Theor. Chem. Phys.
, vol.1
, pp. 259-279
-
-
Berski, S.1
Silvi, B.2
Lundell, J.3
Noury, S.4
Latajka, Z.5
-
37
-
-
0036268590
-
-
Panek, J.; Latajka, Z.; Lundell, J. Phys. Chem. Chem. Phys. 2002, 4, 2504-2510
-
(2002)
Phys. Chem. Chem. Phys.
, vol.4
, pp. 2504-2510
-
-
Panek, J.1
Latajka, Z.2
Lundell, J.3
-
49
-
-
0242720554
-
-
Wang, J.-T.; Feng, Y.; Liu, L.; Li, X.-S.; Guo, Q.-X. Chem. Lett. 2003, 32, 746-747
-
(2003)
Chem. Lett.
, vol.32
, pp. 746-747
-
-
Wang, J.-T.1
Feng, Y.2
Liu, L.3
Li, X.-S.4
Guo, Q.-X.5
-
50
-
-
0142211231
-
-
Jolkkonen, S.; Pettersson, M.; Lundell, J. J. Chem. Phys. 2003, 119, 7356
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 7356
-
-
Jolkkonen, S.1
Pettersson, M.2
Lundell, J.3
-
51
-
-
0347753625
-
-
Yen, S.-Y.; Mou, C.-H.; Hu, W.-P. Chem. Phys. Lett. 2004, 383, 606-611
-
(2004)
Chem. Phys. Lett.
, vol.383
, pp. 606-611
-
-
Yen, S.-Y.1
Mou, C.-H.2
Hu, W.-P.3
-
53
-
-
33845973031
-
-
Li, T.-H.; Liu, Y.-L.; Lin, R.-J.; Yeh, T.-Y.; Hu, W.-P. Chem. Phys. Lett. 2007, 434, 38-41
-
(2007)
Chem. Phys. Lett.
, vol.434
, pp. 38-41
-
-
Li, T.-H.1
Liu, Y.-L.2
Lin, R.-J.3
Yeh, T.-Y.4
Hu, W.-P.5
-
56
-
-
2942585197
-
-
Alabugin, I. V.; Manoharan, M.; Weinhold, F. A. J. Phys. Chem. A 2004, 108, 4720-4730
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 4720-4730
-
-
Alabugin, I.V.1
Manoharan, M.2
Weinhold, F.A.3
-
57
-
-
2442620440
-
-
Avramopoulos, A.; Reis, H.; Li, J.; Papadopoulos, M. G. J. Am. Chem. Soc. 2004, 126, 6179-6184
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 6179-6184
-
-
Avramopoulos, A.1
Reis, H.2
Li, J.3
Papadopoulos, M.G.4
-
58
-
-
77954430618
-
-
Lein, M.; Frunzke, J.; Frenking, G. Struct. Bonding (Berlin, Ger.) 2004, 106, 181-191
-
(2004)
Struct. Bonding (Berlin, Ger.)
, vol.106
, pp. 181-191
-
-
Lein, M.1
Frunzke, J.2
Frenking, G.3
-
59
-
-
1842475495
-
-
Li, H.; Xie, D.; Guo, H. J. Chem. Phys. 2004, 120, 4273-4280
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 4273-4280
-
-
Li, H.1
Xie, D.2
Guo, H.3
-
60
-
-
34547141766
-
-
Huang, Z. G.; Xie, D. Q.; Zhu, H. Sci. China, Ser. B: Chem. 2007, 50, 7-10
-
(2007)
Sci. China, Ser. B: Chem.
, vol.50
, pp. 7-10
-
-
Huang, Z.G.1
Xie, D.Q.2
Zhu, H.3
-
62
-
-
0038626673
-
-
revisions C.02 and D.02; 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.; 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, revisions C.02 and D.02; Gaussian, 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, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Adamo, C.36
Jaramillo, J.37
Gomperts, R.38
Stratmann, R.E.39
Yazyev, O.40
Austin, A.J.41
Cammi, R.42
Pomelli, C.43
Ochterski, J.W.44
Ayala, P.Y.45
Morokuma, K.46
Voth, G.A.47
Salvador, P.48
Dannenberg, J.J.49
Zakrzewski, V.G.50
Dapprich, S.51
Daniels, A.D.52
Strain, M.C.53
Farkas, O.54
Malick, D.K.55
Rabuck, A.D.56
Raghavachari, K.57
Foresman, J.B.58
Ortiz, J.V.59
Cui, Q.60
Baboul, A.G.61
Clifford, S.62
Cioslowski, J.63
Stefanov, B.B.64
Liu, G.65
Liashenko, A.66
Piskorz, P.67
Komaromi, I.68
Martin, R.L.69
Fox, D.J.70
Keith, T.71
Al-Laham, M.A.72
Peng, C.Y.73
Nanayakkara, A.74
Challacombe, M.75
Gill, P.M.W.76
Johnson, B.77
Chen, W.78
Wong, M.W.79
Gonzalez, C.80
Pople, J.A.81
more..
-
65
-
-
4143095330
-
-
Kendall, R. A.; Dunning, T. H., Jr.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6796-6806
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796-6806
-
-
Kendall, R.A.1
Dunning Jr., T.H.2
Harrison, R.J.3
-
67
-
-
0009803110
-
-
Nicklass, A.; Dolg, M.; Stoll, H.; Preuss, H. J. Chem. Phys. 1995, 102, 8942-8952
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 8942-8952
-
-
Nicklass, A.1
Dolg, M.2
Stoll, H.3
Preuss, H.4
-
69
-
-
0006244148
-
-
Raghavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479-483
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479-483
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.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
-
75
-
-
0003622008
-
-
version 3.1; Theoretical Chemistry Institute, University of Wisconsin: Madison, WI (as implemented in Gaussian 03)
-
Glendening, E. D.; Reed, A. E.; Carpenter, J. E.; Weinhold, F. NBO, version 3.1; Theoretical Chemistry Institute, University of Wisconsin: Madison, WI (as implemented in Gaussian 03).
-
NBO
-
-
Glendening, E.D.1
Reed, A.E.2
Carpenter, J.E.3
Weinhold, F.4
-
78
-
-
4243272445
-
-
University of Applied Sciences: Bielefeld, Germany, 2002
-
Biegler-König, F. AIM2000; University of Applied Sciences: Bielefeld, Germany, 2002 (http://www.AIM2000.de).
-
AIM2000
-
-
Biegler-König, F.1
-
80
-
-
33750987956
-
-
Lignell, A.; Khriachtchev, L.; Lundell, J.; Tanskanen, H.; Räsänen, M. J. Chem. Phys. 2006, 125, 184514
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 184514
-
-
Lignell, A.1
Khriachtchev, L.2
Lundell, J.3
Tanskanen, H.4
Räsänen, M.5
-
81
-
-
0042434872
-
-
Koch, W.; Frenking, G.; Gauss, J.; Cremer, D.; Collins, J. R. J. Am. Chem. Soc. 1987, 109, 5917-5934
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 5917-5934
-
-
Koch, W.1
Frenking, G.2
Gauss, J.3
Cremer, D.4
Collins, J.R.5
-
83
-
-
21244452238
-
-
Li, T.-H.; Mou, C.-H.; Chen, H.-R.; Hu, W.-P. J. Am. Chem. Soc. 2005, 127, 9241-9245
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 9241-9245
-
-
Li, T.-H.1
Mou, C.-H.2
Chen, H.-R.3
Hu, W.-P.4
-
84
-
-
35548961528
-
-
Antoniotti, P.; Bronzolino, N.; Borocci, S.; Cecchi, P.; Grandinetti, F. J. Phys. Chem. A 2007, 111, 10144-10151
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 10144-10151
-
-
Antoniotti, P.1
Bronzolino, N.2
Borocci, S.3
Cecchi, P.4
Grandinetti, F.5
-
86
-
-
77954450281
-
-
note
-
-1 in the wavenumbers of the H-Ng stretching modes. We also noticed a strict similarity between the MP2/aug-cc-pVTZ and B3LYP/aug-cc-pVTZ harmonic frequencies.
-
-
-
-
87
-
-
77954428546
-
-
note
-
-1.
-
-
-
-
88
-
-
0003464216
-
-
NIST Standard Reference Database Number 69, June 2005 release
-
NIST Chemistry WebBook, NIST Standard Reference Database Number 69, June 2005 release. (http://webbook.nist.gov).
-
NIST Chemistry WebBook
-
-
-
89
-
-
77952730002
-
-
Giordani, M.; Antoniotti, P.; Grandinetti, F. Chem. Eur. J. 2010, 16, 6257 - 6264.
-
(2010)
Chem. Eur. J.
, vol.16
, pp. 6257-6264
-
-
Giordani, M.1
Antoniotti, P.2
Grandinetti, F.3
-
90
-
-
77954437243
-
-
note
-
-1 (Ng = Xe).
-
-
-
-
91
-
-
77954454947
-
-
note
-
-1 (Ng = Xe).
-
-
-
|