-
2
-
-
1542287375
-
-
Cao, X.,;, Dolg, M., Mol Phys 2003, 101, 1967.
-
(2003)
Mol Phys
, vol.101
, pp. 1967
-
-
Cao, X.1
Dolg, M.2
-
3
-
-
0036625290
-
-
Lombardi, J. R.,;, Davis, B., Chem Rev 2002, 102, 2431.
-
(2002)
Chem Rev
, vol.102
, pp. 2431
-
-
Lombardi, J.R.1
Davis, B.2
-
4
-
-
0002719640
-
-
In; Schleyer, P.v.R. Ed.; John Wiley: Chichester,; p
-
Dolg, M., In Encyclopedia of Computational Chemistry;, Schleyer, P.v.R., Ed.; John Wiley: Chichester, 1998; p. 1478.
-
(1998)
Encyclopedia of Computational Chemistry
, pp. 1478
-
-
Dolg, M.1
-
6
-
-
0034544498
-
-
Liu, Y.,;, Fang, L.,;, Shen, X.,;, Lombardi, J. R., Chem Phys 2000, 262, 25.
-
(2000)
Chem Phys
, vol.262
, pp. 25
-
-
Liu, Y.1
Fang, L.2
Shen, X.3
Lombardi, J.R.4
-
7
-
-
0034248760
-
-
Shen, X.,;, Fang, L.,;, Chen, X.,;, Lombardi, J. R., J Chem Phys 2000, 113, 2233.
-
(2000)
J Chem Phys
, vol.113
, pp. 2233
-
-
Shen, X.1
Fang, L.2
Chen, X.3
Lombardi, J.R.4
-
8
-
-
0033726548
-
-
Chen, X.,;, Fang, L.,;, Shen, X.,;, Lombardi, J. R., J Chem Phys 2000, 112, 9780.
-
(2000)
J Chem Phys
, vol.112
, pp. 9780
-
-
Chen, X.1
Fang, L.2
Shen, X.3
Lombardi, J.R.4
-
9
-
-
0034499030
-
-
Fang, L.,;, Chen, X.,;, Shen, X.,;, Lombardi, J. R., J Chem Phys 2000, 113, 10202.
-
(2000)
J Chem Phys
, vol.113
, pp. 10202
-
-
Fang, L.1
Chen, X.2
Shen, X.3
Lombardi, J.R.4
-
10
-
-
0013483844
-
-
Dolg, M.,;, Stoll, H.,;, Preuss, H. J., Mol Struct (THEOCHEM) 1992, 277, 239.
-
(1992)
Mol Struct (THEOCHEM)
, vol.277
, pp. 239
-
-
Dolg, M.1
Stoll, H.2
Preuss, H.J.3
-
11
-
-
0036026623
-
-
Cao, X.,;, Dolg, M., Theor Chem Acc 2002, 108, 143.
-
(2002)
Theor Chem Acc
, vol.108
, pp. 143
-
-
Cao, X.1
Dolg, M.2
-
12
-
-
0001295704
-
-
Bréchignac, C.,;, Cahuzac, P.,;, Carlier, F.,;, Frutos, M.,;, Masson, A.,;, Roux, J. P., Z Phys D 1991, 19, 195.
-
(1991)
Z Phys D
, vol.19
, pp. 195
-
-
Bréchignac, C.1
Cahuzac, P.2
Carlier, F.3
Frutos, M.4
Masson, A.5
Roux, J.P.6
-
13
-
-
20544465231
-
-
Koretsky, G. M.,;, Knickelbein, M. B., Eur Phys J D 1998, 2, 273.
-
(1998)
Eur Phys J D
, vol.2
, pp. 273
-
-
Koretsky, G.M.1
Knickelbein, M.B.2
-
14
-
-
0001310959
-
-
Wang, Y.,;, Schautz, F. F.,;, Flad, H.-J.,;, Dolg, M., J Phys Chem A 1999, 103, 5091.
-
(1999)
J Phys Chem A
, vol.103
, pp. 5091
-
-
Wang, Y.1
Schautz, F.F.2
Flad, H.-J.3
Dolg, M.4
-
15
-
-
85013813540
-
-
Klotzbücher, W. E.,;, Petrukhina, M. A.,;, Sergeev, G. B., Mendeleev Commun 1994, 5, 5-7.
-
(1994)
Mendeleev Commun
, vol.5
, pp. 5-7
-
-
Klotzbücher, W.E.1
Petrukhina, M.A.2
Sergeev, G.B.3
-
16
-
-
0005652505
-
-
Petrukhina, M. A.,;, Klotzbücher, W. E.,;, Sergeev, G. B.,;, Mosk, V., Univ Ser 2 Khimia 1995, 36, 360.
-
(1995)
Univ ser 2 Khimia
, vol.36
, pp. 360
-
-
Petrukhina, M.A.1
Klotzbücher, W.E.2
Sergeev, G.B.3
Mosk, V.4
-
17
-
-
0041097789
-
-
Klotzbücher, W. E.,;, Petrukhina, M. A.,;, Sergeev, G. B., J Phys Chem A 1997, 101, 4548.
-
(1997)
J Phys Chem A
, vol.101
, pp. 4548
-
-
Klotzbücher, W.E.1
Petrukhina, M.A.2
Sergeev, G.B.3
-
18
-
-
15944394555
-
-
Nemukhin, A. V.,;, Ermilov, A. Yu.,;, Petrukhina, M. A.,;, Klotzbücher, W. E.,;, Smets, J., Spectrochim Acta 1997, A53, 1803.
-
(1997)
Spectrochim Acta
, vol.53 A
, pp. 1803
-
-
Nemukhin, A.V.1
Ermilov, A.Yu.2
Petrukhina, M.A.3
Klotzbücher, W.E.4
Smets, J.5
-
19
-
-
0342467933
-
-
Klotzbücher, W. E.,;, Petrukhina, M. A.,;, Nemukhin, A. V.,;, Ermilov, A. Yu.,;, Grigorenko, B. L., Spectrochim Acta 2001, A57, 1093.
-
(2001)
Spectrochim Acta
, vol.57 A
, pp. 1093
-
-
Klotzbücher, W.E.1
Petrukhina, M.A.2
Nemukhin, A.V.3
Ermilov, A.Yu.4
Grigorenko, B.L.5
-
20
-
-
34249725737
-
-
Chi, X. X.,;, Liu, Y., Int J Quantum Chem 2007, 107, 1886.
-
(2007)
Int J Quantum Chem
, vol.107
, pp. 1886
-
-
Chi, X.X.1
Liu, Y.2
-
22
-
-
0036592082
-
-
Molander, G. A.,;, Romero, J. A. C., Chem Rev 2002, 102, 2161.
-
(2002)
Chem Rev
, vol.102
, pp. 2161
-
-
Molander, G.A.1
Romero, J.A.C.2
-
24
-
-
0036625332
-
-
Edelmann, F. T.,;, Freckmann, D. M. M.,;, Schumann, H., Chem Rev 2002, 102, 1851.
-
(2002)
Chem Rev
, vol.102
, pp. 1851
-
-
Edelmann, F.T.1
Freckmann, D.M.M.2
Schumann, H.3
-
25
-
-
0036625218
-
-
Okuda, J.,;, Arndt, S., Chem Rev 2002, 102, 1953.
-
(2002)
Chem Rev
, vol.102
, pp. 1953
-
-
Okuda, J.1
Arndt, S.2
-
26
-
-
0036625219
-
-
Shibasaki, M.,;, Yoshikawa, N., Chem Rev 2002, 102, 2187.
-
(2002)
Chem Rev
, vol.102
, pp. 2187
-
-
Shibasaki, M.1
Yoshikawa, N.2
-
27
-
-
0036625216
-
-
Inanaga, J.,;, Furuno, H.,;, Hayano, T., Chem Rev 2002, 102, 2211.
-
(2002)
Chem Rev
, vol.102
, pp. 2211
-
-
Inanaga, J.1
Furuno, H.2
Hayano, T.3
-
28
-
-
34249703268
-
-
(in press); DOI: 10.1002/qua.22479
-
Wang, Y.-C.,;, Liu, H.-W.,;, Geng, Z.-Y.,;, Lv, L.-L.,;, Si, Yu-B.,;, Wang, Q.-Y.,;, Wanf, Q.,;, Cui, D.-D., Int J Quantum Chem (in press); DOI: 10.1002/qua.22479.
-
Int J Quantum Chem
-
-
Wang, Y.-C.1
Liu, H.-W.2
Geng, Z.-Y.3
Lv, L.-L.4
Si, Y.-B.5
Wang, Q.-Y.6
Wanf, Q.7
Cui, D.-D.8
-
29
-
-
33746608111
-
-
de Almeida, K. J.,;, Cezar, A., Organometallics 2006, 25, 3407.
-
(2006)
Organometallics
, vol.25
, pp. 3407
-
-
De Almeida, K.J.1
Cezar, A.2
-
30
-
-
34548216798
-
-
Xu, J.,;, Jin, X.,;, Zhou, M., J Phys Chem A 2007, 111, 7105.
-
(2007)
J Phys Chem A
, vol.111
, pp. 7105
-
-
Xu, J.1
Jin, X.2
Zhou, M.3
-
31
-
-
0002452559
-
-
Vetere, V.,;, Adamo, C.,;, Maldivi, P., Chem Phys Lett 2000, 325, 99.
-
(2000)
Chem Phys Lett
, vol.325
, pp. 99
-
-
Vetere, V.1
Adamo, C.2
Maldivi, P.3
-
32
-
-
76349095822
-
-
Kullgren, J.,;, Castleton, C. W. M.,;, Müller, C.,;, Ramo, D. M.,;, Hermansson, K., J Chem Phys 2010, 132, 054110.
-
(2010)
J Chem Phys
, vol.132
, pp. 054110
-
-
Kullgren, J.1
Castleton, C.W.M.2
Müller, C.3
Ramo, D.M.4
Hermansson, K.5
-
33
-
-
38849187886
-
-
Luo, Y.,;, Hou, Z., J Phys Chem C 2008, 112, 635.
-
(2008)
J Phys Chem C
, vol.112
, pp. 635
-
-
Luo, Y.1
Hou, Z.2
-
34
-
-
76149129683
-
-
Tsipis, A. C.,;, Depastas, I. G.,;, Karagiannis, E. E.,;, Tsipis, C. A., J Comput Chem 2010, 31, 431.
-
(2010)
J Comput Chem
, vol.31
, pp. 431
-
-
Tsipis, A.C.1
Depastas, I.G.2
Karagiannis, E.E.3
Tsipis, C.A.4
-
35
-
-
47349118875
-
-
Tsipis, A. C.,;, Kefalidis, C. E.,;, Tsipis, C. A., J Am Chem Soc 2008, 130, 9144.
-
(2008)
J Am Chem Soc
, vol.130
, pp. 9144
-
-
Tsipis, A.C.1
Kefalidis, C.E.2
Tsipis, C.A.3
-
36
-
-
33846042626
-
-
Lu, J.,;, Sabirianov, R. F.,;, Mei, W. N.,;, Gao, Y.,;, Duan, C.,;, Zeng, X., J Phys Chem B 2006, 110, 23637.
-
(2006)
J Phys Chem B
, vol.110
, pp. 23637
-
-
Lu, J.1
Sabirianov, R.F.2
Mei, W.N.3
Gao, Y.4
Duan, C.5
Zeng, X.6
-
37
-
-
70350221841
-
-
Valencia, R.,;, Rodriguez-Fortea, A.,;, Clotet, A.,;, Graaf, C.,;, Chaur, M. N.,;, Echegoyen, L.,;, Poblet, J. M., Chem Eur J 2009, 15, 10997.
-
(2009)
Chem Eur J
, vol.15
, pp. 10997
-
-
Valencia, R.1
Rodriguez-Fortea, A.2
Clotet, A.3
Graaf, C.4
Chaur, M.N.5
Echegoyen, L.6
Poblet, J.M.7
-
38
-
-
70450170763
-
-
Popov, A. A.,;, Dunsch, L., Chem Eur J 2009, 15, 9707.
-
(2009)
Chem Eur J
, vol.15
, pp. 9707
-
-
Popov, A.A.1
Dunsch, L.2
-
39
-
-
43249093214
-
-
Osuna, S.,;, Swart, M.,;, Campanera, J. M.,;, Poblet, J. M.,;, Solá, M., J Am Chem Soc 2008, 130, 6206.
-
(2008)
J Am Chem Soc
, vol.130
, pp. 6206
-
-
Osuna, S.1
Swart, M.2
Campanera, J.M.3
Poblet, J.M.4
Solá, M.5
-
40
-
-
67849107988
-
-
Osuna, S.,;, Swart, M.,;, Solá, M., J Am Chem Soc 2009, 131, 129
-
(2009)
J Am Chem Soc
, vol.131
, pp. 129
-
-
Osuna, S.1
Swart, M.2
Solá, M.3
-
41
-
-
5044235974
-
-
Dunsch, L.,;, Georgi, P.,;, Krause, M.,;, Wang, Ch. R,. Synth Met 2003, 135-136, 761.
-
(2003)
Synth Met
, vol.135-136
, pp. 761
-
-
Dunsch, L.1
Georgi, P.2
Krause, M.3
Wang, Ch.R.4
-
42
-
-
0942289611
-
-
Dunsch, L.,;, Krause, M.,;, Noack, J.,;, Georgi, P., J Phys Chem Solids 2004, 65, 309.
-
(2004)
J Phys Chem Solids
, vol.65
, pp. 309
-
-
Dunsch, L.1
Krause, M.2
Noack, J.3
Georgi, P.4
-
43
-
-
0035828670
-
-
Krause, M.,;, Kuzmany, H.,;, Georgi, P.,;, Dunsch, L.,;, Vietze, K.,;, Seifert, G., J Chem Phys 2001, 115, 6596.
-
(2001)
J Chem Phys
, vol.115
, pp. 6596
-
-
Krause, M.1
Kuzmany, H.2
Georgi, P.3
Dunsch, L.4
Vietze, K.5
Seifert, G.6
-
44
-
-
16244411141
-
-
Krause, M.,;, Dunsch, L., Angew Chem Int Ed 2005, 44, 1557.
-
(2005)
Angew Chem Int Ed
, vol.44
, pp. 1557
-
-
Krause, M.1
Dunsch, L.2
-
45
-
-
12444252034
-
-
Krause, M.,;, Wong, J.,;, Dunsch, L., Chem Eur J 2005, 11, 706.
-
(2005)
Chem Eur J
, vol.11
, pp. 706
-
-
Krause, M.1
Wong, J.2
Dunsch, L.3
-
46
-
-
11244328940
-
-
Stevenson, S.,;, Phillips, J. P.,;, Reid, J. R.,;, Olmstead, M. M.,;, Rath, S. P.,;, Balch, A. L., Chem Commun 2004, 2814.
-
(2004)
Chem Commun
, pp. 2814
-
-
Stevenson, S.1
Phillips, J.P.2
Reid, J.R.3
Olmstead, M.M.4
Rath, S.P.5
Balch, A.L.6
-
47
-
-
27844444165
-
-
Campanera, J. M.,;, Bo, C.,;, Poblet, J. M., Angew Chem Int Ed 2005, 44, 7230.
-
(2005)
Angew Chem Int Ed
, vol.44
, pp. 7230
-
-
Campanera, J.M.1
Bo, C.2
Poblet, J.M.3
-
48
-
-
34547842101
-
-
Dunsch, L.,;, Yang, S., Small 2007, 8, 1298.
-
(2007)
Small
, vol.8
, pp. 1298
-
-
Dunsch, L.1
Yang, S.2
-
49
-
-
34447256175
-
-
Dunsch, L.,;, Yang, S., Phys Chem Chem Phys 2007, 9, 3067.
-
(2007)
Phys Chem Chem Phys
, vol.9
, pp. 3067
-
-
Dunsch, L.1
Yang, S.2
-
50
-
-
33845969543
-
-
Yang, S. F.,;, Troyanov, S.,;, Popov, A. A.,;, Krause, M.,;, Dunsch, L., J Am Chem Soc 2006, 128, 16733.
-
(2006)
J Am Chem Soc
, vol.128
, pp. 16733
-
-
Yang, S.F.1
Troyanov, S.2
Popov, A.A.3
Krause, M.4
Dunsch, L.5
-
51
-
-
34748913193
-
-
Popov, A. A.,;, Dunsch, L., J Am Chem Soc 2007, 129, 11835.
-
(2007)
J Am Chem Soc
, vol.129
, pp. 11835
-
-
Popov, A.A.1
Dunsch, L.2
-
53
-
-
33846042626
-
-
Lu, J.,;, Sabirianov, R. F.,;, Mei, W. N.,;, Gao, Y.,;, Duan, C.-G.,;, Zeng, X., J Phys Chem B 2006, 110, 23637.
-
(2006)
J Phys Chem B
, vol.110
, pp. 23637
-
-
Lu, J.1
Sabirianov, R.F.2
Mei, W.N.3
Gao, Y.4
Duan, C.-G.5
Zeng, X.6
-
54
-
-
33846410931
-
-
Merino, G.,;, Méndez-Rojas, M. A.,;, Vela, A.,;, Heine, T., J Comput Chem 2007, 28, 362.
-
(2007)
J Comput Chem
, vol.28
, pp. 362
-
-
Merino, G.1
Méndez-Rojas, M.A.2
Vela, A.3
Heine, T.4
-
55
-
-
36749061280
-
-
Islas, R.,;, Heine, T.,;, Ito, K.,;, Schleyer, P. v. R.,;, Merino, G., J Am Chem Soc 2007, 129, 14767.
-
(2007)
J Am Chem Soc
, vol.129
, pp. 14767
-
-
Islas, R.1
Heine, T.2
Ito, K.3
Schleyer, V.P.R.4
Merino, G.5
-
57
-
-
0035909767
-
-
Steiner, E.,;, Fowler, P. W., J Phys Chem A 2001, 105, 9553.
-
(2001)
J Phys Chem A
, vol.105
, pp. 9553
-
-
Steiner, E.1
Fowler, P.W.2
-
58
-
-
18844395718
-
-
Fowler, P. W.,;, Steiner, E.,;, Havenith, R. W. A.,;, Jenneskens, L. W., Magn Reson Chem 2004, 42, S68.
-
(2004)
Magn Reson Chem
, vol.42
-
-
Fowler, P.W.1
Steiner, E.2
Havenith, R.W.A.3
Jenneskens, L.W.4
-
60
-
-
0000196761
-
-
In; Lawley, K. P. Ed.; John Wiley: Chichester,; p
-
Roos, B. O., In Advances in Chemical Physics;, Lawley, K. P., Ed.; John Wiley: Chichester, 1987; p. 399.
-
(1987)
Advances in Chemical Physics
, pp. 399
-
-
Roos, B.O.1
-
61
-
-
33751554101
-
-
Malmqvist, P.-Ã.,;, Rendell, A.,;, Roos, B. O., J Phys Chem 1990, 94, 5477.
-
(1990)
J Phys Chem
, vol.94
, pp. 5477
-
-
Malmqvist, P.-Ã.1
Rendell, A.2
Roos, B.O.3
-
63
-
-
0013004607
-
-
Andersson, K.,;, Malmqvist, P.-Ã.,;, Roos, B. O.,;, Sadlej, A. J.,;, Wolinski, K., J Phys Chem 1990, 94, 5483.
-
(1990)
J Phys Chem
, vol.94
, pp. 5483
-
-
Andersson, K.1
Malmqvist, P.-Ã.2
Roos, B.O.3
Sadlej, A.J.4
Wolinski, K.5
-
64
-
-
36448998619
-
-
Andersson, K.,;, Malmqvist, P.-Ã.,;, Roos, B. O., J Chem Phys 1992, 96, 1218.
-
(1992)
J Chem Phys
, vol.96
, pp. 1218
-
-
Andersson, K.1
Malmqvist, P.-Ã.2
Roos, B.O.3
-
65
-
-
34249729943
-
-
Gagliardi, L.,;, Roos, B. O., Chem Soc Rev 2007, 36, 893.
-
(2007)
Chem Soc Rev
, vol.36
, pp. 893
-
-
Gagliardi, L.1
Roos, B.O.2
-
66
-
-
53549120804
-
-
references therein
-
Hunt, P. A., Dalton Trans 2007, 1743 and references therein.
-
(2007)
Dalton Trans
, pp. 1743
-
-
Hunt, P.A.1
-
67
-
-
11244282931
-
-
Gaussian, Inc.: Wallingford CT
-
Frisch, M. J. T., G. W.,;, Schlegel, H. B.,;, Scusseria, G. E.,;, Robb, M. A.,;, Cheeseman, J. R.,;, Zakrzewski, V. G.,;, Montgomery, J. A.,;, Vreven, T.,;, Kudin, K. N.,;, Burant, J. C.,;, Millan, 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, Revision E.01; Gaussian, Inc.: Wallingford CT, 2004.
-
(2004)
Gaussian 03, Revision E.01
-
-
Frisch, M.J.T.1
Schlegel, H.B.2
Scusseria, G.E.3
Robb, M.A.4
Cheeseman, J.R.5
Zakrzewski, V.G.6
Montgomery, J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millan, 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..
-
70
-
-
0041857031
-
-
Dolg, M.,;, Stoll, H.,;, Preuss, H.,;, Pitzer, R. M., J Phys Chem 1993, 97, 5852.
-
(1993)
J Phys Chem
, vol.97
, pp. 5852
-
-
Dolg, M.1
Stoll, H.2
Preuss, H.3
Pitzer, R.M.4
-
72
-
-
0011083499
-
-
Reed, A. E.,;, Curtiss, L. A.,;, Weinhold, F., Chem Rev 1988, 88, 899.
-
(1988)
Chem Rev
, vol.88
, pp. 899
-
-
Reed, A.E.1
Curtiss, L.A.2
Weinhold, F.3
-
73
-
-
0000097150
-
-
In; Schleyer, P.v.R. Ed.; John Wiley: Chichester,; p
-
Weinhold, F., In The Encyclopedia of Computational Chemistry;, Schleyer, P.v.R., Ed.; John Wiley: Chichester, 1998; p. 1792.
-
(1998)
The Encyclopedia of Computational Chemistry
, pp. 1792
-
-
Weinhold, F.1
-
74
-
-
0004025317
-
-
University of Wisconsin, Madison
-
Glendening, E. D.,;, Badenhoop, J. K.,;, Reed, A. E.,;, Carpenter, J. E.,;, Bohmann, J. A.,;, Morales, C. M.,;, Weinhold, F., NBO 5.0 Theoretical Chemistry Institute, University of Wisconsin, Madison, 2001.
-
(2001)
NBO 5.0 Theoretical Chemistry Institute
-
-
Glendening, E.D.1
Badenhoop, J.K.2
Reed, A.E.3
Carpenter, J.E.4
Bohmann, J.A.5
Morales, C.M.6
Weinhold, F.7
-
76
-
-
0001694717
-
-
Gorelsky, S. I.,;, Lever, A. B. P., J Organomet Chem 2001, 635, 187.
-
(2001)
J Organomet Chem
, vol.635
, pp. 187
-
-
Gorelsky, S.I.1
Lever, A.B.P.2
-
79
-
-
0011190497
-
-
Schleyer, P. v. R.,;, Maerker, C.,;, Dransfeld, A.,;, Jiao, H.,;, Hommes, N. J. R. v. R., J Am Chem Soc 1996, 118, 6317.
-
(1996)
J Am Chem Soc
, vol.118
, pp. 6317
-
-
Schleyer, V.P.R.1
Maerker, C.2
Dransfeld, A.3
Jiao, H.4
Hommes, V.R.J.N.R.5
-
81
-
-
3142716769
-
-
Viglione, R. G.,;, Zanasi, R.,;, Lazzeretti, P., Org Lett 2004, 6, 2265.
-
(2004)
Org Lett
, vol.6
, pp. 2265
-
-
Viglione, R.G.1
Zanasi, R.2
Lazzeretti, P.3
-
82
-
-
23944454338
-
-
Faglioni, F.,;, Ligabue, A.,;, Pelloni, S.,;, Soncini, A.,;, Viglione, R. G.,;, Ferraro, M. B.,;, Zanasi, R.,;, Lazzeretti, P., Org Lett 2005, 7, 3457.
-
(2005)
Org Lett
, vol.7
, pp. 3457
-
-
Faglioni, F.1
Ligabue, A.2
Pelloni, S.3
Soncini, A.4
Viglione, R.G.5
Ferraro, M.B.6
Zanasi, R.7
Lazzeretti, P.8
-
83
-
-
33747794910
-
-
Osuna, S.,;, Poater, J.,;, Bofill, J. M.,;, Alemany, P.,;, Solá, M., Chem Phys Lett 2006, 428, 191.
-
(2006)
Chem Phys Lett
, vol.428
, pp. 191
-
-
Osuna, S.1
Poater, J.2
Bofill, J.M.3
Alemany, P.4
Solá, M.5
-
84
-
-
77951139285
-
-
Islas, R.,;, Martínez-Guajardo, G.,;, Jiménez-Halla, J. O. C.,;, Solá, M.,;, Merino, G., J Chem Theory Comput 2010, 6, 1131.
-
(2010)
J Chem Theory Comput
, vol.6
, pp. 1131
-
-
Islas, R.1
Martínez-Guajardo, G.2
Jiménez-Halla, J.O.C.3
Solá, M.4
Merino, G.5
-
85
-
-
34547226048
-
-
Feixas, F.,;, Jiimenez-Hallal, J. O. C.,;, Matito, E.,;, Poater, J.,;, Solá, M., Pol J Chem 2007, 81, 783.
-
(2007)
Pol J Chem
, vol.81
, pp. 783
-
-
Feixas, F.1
Jiimenez-Hallal, J.O.C.2
Matito, E.3
Poater, J.4
Solá, M.5
-
86
-
-
34250372549
-
-
Feixas, F.,;, Matito, E.,;, Poater, J.,;, Solá, M., J Phys Chem A 2007, 111, 4513.
-
(2007)
J Phys Chem A
, vol.111
, pp. 4513
-
-
Feixas, F.1
Matito, E.2
Poater, J.3
Solá, M.4
-
87
-
-
36549026606
-
-
Keith, T. A.,;, Bader, R. F. W., Chem Phys Lett 1992, 194, 1.
-
(1992)
Chem Phys Lett
, vol.194
, pp. 1
-
-
Keith, T.A.1
Bader, R.F.W.2
-
88
-
-
0000197433
-
-
Keith, T. A.,;, Bader, R. F. W., Chem Phys Lett 1993, 210, 223.
-
(1993)
Chem Phys Lett
, vol.210
, pp. 223
-
-
Keith, T.A.1
Bader, R.F.W.2
-
89
-
-
1242268874
-
-
Cheeseman, J. R.,;, Frisch, M. J.,;, Trucks, G. W.,;, Keith, T. A., J Chem Phys 1996, 104, 5497.
-
(1996)
J Chem Phys
, vol.104
, pp. 5497
-
-
Cheeseman, J.R.1
Frisch, M.J.2
Trucks, G.W.3
Keith, T.A.4
-
90
-
-
0011681248
-
-
Kant, A.,;, Lin, S. S., Monatcsh Chem 1972, 103, 757.
-
(1972)
Monatcsh Chem
, vol.103
, pp. 757
-
-
Kant, A.1
Lin, S.S.2
-
91
-
-
79251526818
-
-
Available at
-
Available at:.
-
-
-
-
92
-
-
4644244330
-
-
Merino, G.,;, Heine, T.,;, Seifert, G., Chem Eur J 2004, 10, 4367.
-
(2004)
Chem Eur J
, vol.10
, pp. 4367
-
-
Merino, G.1
Heine, T.2
Seifert, G.3
-
93
-
-
33846579265
-
-
Heine, T.,;, Islas, R.,;, Merino, G., J Comput Chem 2007, 28, 302.
-
(2007)
J Comput Chem
, vol.28
, pp. 302
-
-
Heine, T.1
Islas, R.2
Merino, G.3
-
95
-
-
36148962024
-
-
Islas, R.,;, Heine, T.,;, Merino, G., J Chem Theory Comput 2007, 3, 775
-
(2007)
J Chem Theory Comput
, vol.3
, pp. 775
-
-
Islas, R.1
Heine, T.2
Merino, G.3
-
97
-
-
0035478450
-
-
Kobayashi, K.,;, Sano, Y.,;, Nagase, S., Int J Quantum Chem 2001, 22, 1353.
-
(2001)
Int J Quantum Chem
, vol.22
, pp. 1353
-
-
Kobayashi, K.1
Sano, Y.2
Nagase, S.3
-
98
-
-
0037020299
-
-
Stevenson, S.,;, Lee, H. M.,;, Olmstead, M. M.,;, Kozilowskí, C.,;, Stevenson, P.,;, Balch, A. L., Chem Eur J 2002, 8, 4528.
-
(2002)
Chem Eur J
, vol.8
, pp. 4528
-
-
Stevenson, S.1
Lee, H.M.2
Olmstead, M.M.3
Kozilowskí, C.4
Stevenson, P.5
Balch, A.L.6
-
99
-
-
77955557115
-
-
Tsipis, A. C.,;, Depastas, I. G.,;, Tsipis, C. A., Symmetry 2010, 2, 284.
-
(2010)
Symmetry
, vol.2
, pp. 284
-
-
Tsipis, A.C.1
Depastas, I.G.2
Tsipis, C.A.3
-
100
-
-
37749007287
-
-
Islas, R.,;, Chamorro, E.,;, Robles, J.,;, Heine, T.,;, Santos, J. C.,;, Merino, G., Struct Chem 2007, 18, 833.
-
(2007)
Struct Chem
, vol.18
, pp. 833
-
-
Islas, R.1
Chamorro, E.2
Robles, J.3
Heine, T.4
Santos, J.C.5
Merino, G.6
|