-
4
-
-
31044438842
-
-
Huang X, Zhai HJ, Waters T, Li J, Wang LS (2006) Angew Chem Int Ed 45: 657.
-
(2006)
Angew Chem Int Ed
, vol.45
, pp. 657
-
-
Huang, X.1
Zhai, H.J.2
Waters, T.3
Li, J.4
Wang, L.S.5
-
5
-
-
34447277365
-
-
doi:10.1002/anie.200700442
-
Zhai HJ, Averkiev BB, Zubarev DY, Wang LS, Boldyrev AI (2007) Angew Chem Int Ed 46: 4277. doi: 10. 1002/anie. 200700442.
-
(2007)
Angew Chem Int Ed
, vol.46
, pp. 4277
-
-
Zhai, H.J.1
Averkiev, B.B.2
Zubarev, D.Y.3
Wang, L.S.4
Boldyrev, A.I.5
-
6
-
-
68249112284
-
-
doi:10.1063/1.3180825
-
Rothgeb DW, Hossain E, Kuo AT, Troyer JL, Jarrold CC (2009) J Chem Phys 131: 044310. doi: 10. 1063/1. 3180825.
-
(2009)
J Chem Phys
, vol.131
, pp. 044310
-
-
Rothgeb, D.W.1
Hossain, E.2
Kuo, A.T.3
Troyer, J.L.4
Jarrold, C.C.5
-
7
-
-
63649097016
-
-
doi:10.1063/1.3100782
-
Mayhall NJ, Rothgeb DW, Hossain E, Raghavachari K, Jarrold CC (2009) J Chem Phys 130: 124313. doi: 10. 1063/1. 3100782.
-
(2009)
J Chem Phys
, vol.130
, pp. 124313
-
-
Mayhall, N.J.1
Rothgeb, D.W.2
Hossain, E.3
Raghavachari, K.4
Jarrold, C.C.5
-
11
-
-
77952368586
-
-
doi:10.1021/jp102439v
-
Chen WJ, Zhai HJ, Zhang YF, Huang X, Wang LS (2010) J Phys Chem A 114: 5958. doi: 10. 1021/jp102439v.
-
(2010)
J Phys Chem A
, vol.114
, pp. 5958
-
-
Chen, W.J.1
Zhai, H.J.2
Zhang, Y.F.3
Huang, X.4
Wang, L.S.5
-
13
-
-
77249127437
-
-
doi:10.1021/jp909676s
-
Wang B, Chen WJ, Zhao BC, Zhang YF, Huang X (2010) J Phys Chem A 114: 1964. doi: 10. 1021/jp909676s.
-
(2010)
J Phys Chem A
, vol.114
, pp. 1964
-
-
Wang, B.1
Chen, W.J.2
Zhao, B.C.3
Zhang, Y.F.4
Huang, X.5
-
16
-
-
75849159019
-
-
doi:10.1021/cr900185x
-
Gong Y, Zhou M (2009) Chem Rev 109: 6765. doi: 10. 1021/cr900185x.
-
(2009)
Chem Rev
, vol.109
, pp. 6765
-
-
Gong, Y.1
Zhou, M.2
-
18
-
-
0000620442
-
-
doi:10.1021/ic00023a030
-
King RB (1991) Inorg Chem 30: 4437. doi: 10. 1021/ic00023a030.
-
(1991)
Inorg Chem
, vol.30
, pp. 4437
-
-
King, R.B.1
-
19
-
-
17644374072
-
-
Wannere CS, Corminboeuf C, Wang ZX, Wodrich MD, King RB, von Ragué Schleyer P (2005) J Am Chem Soc 127: 5701.
-
(2005)
J Am Chem Soc
, vol.127
, pp. 5701
-
-
Wannere, C.S.1
Corminboeuf, C.2
Wang, Z.X.3
Wodrich, M.D.4
King, R.B.5
von Ragué Schleyer, P.6
-
20
-
-
33645827809
-
-
Lin YC, Sundholm D, Jusélius J, Cui LF, Li X, Zhai HJ, Wang LS (2006) J Phys Chem A 110: 4244.
-
(2006)
J Phys Chem A
, vol.110
, pp. 4244
-
-
Lin, Y.C.1
Sundholm, D.2
Jusélius, J.3
Cui, L.F.4
Li, X.5
Zhai, H.J.6
Wang, L.S.7
-
21
-
-
0035793355
-
-
Li X, Kuznesov AE, Zhang HF, Boldyrev AI, Wang LS (2001) Science 291: 859.
-
(2001)
Science
, vol.291
, pp. 859
-
-
Li, X.1
Kuznesov, A.E.2
Zhang, H.F.3
Boldyrev, A.I.4
Wang, L.S.5
-
23
-
-
0037466650
-
-
Kuznetsov AE, Birch KA, Boldyrev AI, Li X, Zhai HJ, Wang LS (2003) Science 300: 622.
-
(2003)
Science
, vol.300
, pp. 622
-
-
Kuznetsov, A.E.1
Birch, K.A.2
Boldyrev, A.I.3
Li, X.4
Zhai, H.J.5
Wang, L.S.6
-
24
-
-
0242582922
-
-
Chen Z, Corminboeuf C, Heine T, Bohmann J, von Ragué Schleyer P (2003) J Am Chem Soc 125: 13930.
-
(2003)
J Am Chem Soc
, vol.125
, pp. 13930
-
-
Chen, Z.1
Corminboeuf, C.2
Heine, T.3
Bohmann, J.4
von Ragué Schleyer, P.5
-
25
-
-
0942268770
-
-
Havenith RWA, Fowler PW, Steiner E, Shetty S, Kanhere D, Pal S (2004) Phys Chem Chem Phys 6: 285.
-
(2004)
Phys Chem Chem Phys
, vol.6
, pp. 285
-
-
Havenith, R.W.A.1
Fowler, P.W.2
Steiner, E.3
Shetty, S.4
Kanhere, D.5
Pal, S.6
-
29
-
-
67651162050
-
-
doi:10.1021/jp9029776
-
Fliegl H, Sundholm D, Taubert S, Jusélius J, Klopper W (2009) J Phys Chem A 113: 8668. doi: 10. 1021/jp9029776.
-
(2009)
J Phys Chem A
, vol.113
, pp. 8668
-
-
Fliegl, H.1
Sundholm, D.2
Taubert, S.3
Jusélius, J.4
Klopper, W.5
-
35
-
-
58149168724
-
-
Taubert S, Jusélius J, Sundholm D, Klopper W, Fliegl H (2008) J Phys Chem A 112: 13584.
-
(2008)
J Phys Chem A
, vol.112
, pp. 13584
-
-
Taubert, S.1
Jusélius, J.2
Sundholm, D.3
Klopper, W.4
Fliegl, H.5
-
41
-
-
0011190497
-
-
von Ragué Schleyer P, Maerker C, Dransfeld A, Jiao H, van Eikema Hommes NJR (1996) J Am Chem Soc 118: 6317.
-
(1996)
J Am Chem Soc
, vol.118
, pp. 6317
-
-
von Ragué Schleyer, P.1
Maerker, C.2
Dransfeld, A.3
Jiao, H.4
van Eikema Hommes, N.J.R.5
-
43
-
-
0033583142
-
-
doi:10.1021/jo981862+
-
Morao I, Cossío FP (1999) J Org Chem 64: 1868. doi: 10. 1021/jo981862+.
-
(1999)
J Org Chem
, vol.64
, pp. 1868
-
-
Morao, I.1
Cossío, F.P.2
-
44
-
-
4243539377
-
-
Current version: see
-
Ahlrichs R, Bär M, Häser M, Horn H, Kölmel C (1989) Chem Phys Lett 162: 165. Current version: see http://www.turbomole.com.
-
(1989)
Chem Phys Lett
, vol.162
, pp. 165
-
-
Ahlrichs, R.1
Bär, M.2
Häser, M.3
Horn, H.4
Kölmel, C.5
-
47
-
-
31544458461
-
-
doi:10.1063/1.2162161
-
Furche F, Perdew JP (2006) J Chem Phys 124: 044103. doi: 10. 1063/1. 2162161.
-
(2006)
J Chem Phys
, vol.124
, pp. 044103
-
-
Furche, F.1
Perdew, J.P.2
-
48
-
-
11744322674
-
-
Andrae D, Häussermann U, Dolg M, Stoll H, Preuss H (1990) Theor Chim Acta 77: 123.
-
(1990)
Theor Chim Acta
, vol.77
, pp. 123
-
-
Andrae, D.1
Häussermann, U.2
Dolg, M.3
Stoll, H.4
Preuss, H.5
-
50
-
-
20644438873
-
-
te Velde G, Bickelhaupt FM, van Gisbergen SJA, Fonseca Guerra C, Baerends EJ, Snijders JG, Ziegler T (2001) J Comp Chem 22: 931.
-
(2001)
J Comp Chem
, vol.22
, pp. 931
-
-
Te Velde, G.1
Bickelhaupt, F.M.2
van Gisbergen, S.J.A.3
Fonseca Guerra, C.4
Baerends, E.J.5
Snijders, J.G.6
Ziegler, T.7
-
52
-
-
0004066445
-
-
ADF2010, SCM, Vrije Universiteit, Amsterdam, The Netherlands
-
Baerends EJ, Ziegler T, Autschbach J, Bashford D, Bérces A, Bickelhaupt FM, Bo C, Boerrigter PM, Cavallo L, Chong DP, Deng L, Dickson RM, Ellis DE, van Faassen M, Fan L, Fischer TH, Fonseca Guerra C, Ghysels A, Giammona A, van Gisbergen SJA, Götz AW, Groeneveld JA, Gritsenko OV, Grüning M, Gusarov S, Harris FE, van den Hoek P, Jacob CR, Jacobsen H, Jensen L, Kaminski JW, van Kessel G, Kootstra F, Kovalenko A, Krykunov MV, van Lenthe E, McCormack DA, Michalak A, Mitoraj M, Neugebauer J, Nicu VP, Noodleman L, Osinga VP, Patchkovskii S, Philipsen PHT, Pye DPCC, Ravenek W, Rodríguez JI, Ros P, Schipper PRT, Schreckenbach G, Seldenthuis JS, Seth M, Snijders JG, Sola M, Swart M, Swerhone D, te Velde G, Vernooijs P, Versluis L, Visscheri L, Visser O, Wang F, Wesolowski TA, van Wezenbeek EM, Wiesenekker G, Wolff SK, Woo TK, Yakovlev AL. ADF2010, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, http://www.scm.com.
-
Theoretical Chemistry
-
-
Baerends, E.J.1
Ziegler, T.2
Autschbach, J.3
Bashford, D.4
Bérces, A.5
Bickelhaupt, F.M.6
Bo, C.7
Boerrigter, P.M.8
Cavallo, L.9
Chong, D.P.10
Deng, L.11
Dickson, R.M.12
Ellis, D.E.13
van Faassen, M.14
Fan, L.15
Fischer, T.H.16
Fonseca Guerra, C.17
Ghysels, A.18
Giammona, A.19
van Gisbergen, S.J.A.20
Götz, A.W.21
Groeneveld, J.A.22
Gritsenko, O.V.23
Grüning, M.24
Gusarov, S.25
Harris, F.E.26
van den Hoek, P.27
Jacob, C.R.28
Jacobsen, H.29
Jensen, L.30
Kaminski, J.W.31
van Kessel, G.32
Kootstra, F.33
Kovalenko, A.34
Krykunov, M.V.35
van Lenthe, E.36
McCormack, D.A.37
Michalak, A.38
Mitoraj, M.39
Neugebauer, J.40
Nicu, V.P.41
Noodleman, L.42
Osinga, V.P.43
Patchkovskii, S.44
Philipsen, P.H.T.45
Pye, D.P.C.C.46
Ravenek, W.47
Rodríguez, J.I.48
Ros, P.49
Schipper, P.R.T.50
Schreckenbach, G.51
Seldenthuis, J.S.52
Seth, M.53
Snijders, J.G.54
Sola, M.55
Swart, M.56
Swerhone, D.57
te Velde, G.58
Vernooijs, P.59
Versluis, L.60
Visscheri, L.61
Visser, O.62
Wang, F.63
Wesolowski, T.A.64
van Wezenbeek, E.M.65
Wiesenekker, G.66
Wolff, S.K.67
Woo, T.K.68
Yakovlev, A.L.69
more..
-
68
-
-
0000770899
-
-
Häser M, Ahlrichs R, Baron HP, Weis P, Horn H (1992) Theor Chim Acta 83: 455.
-
(1992)
Theor Chim Acta
, vol.83
, pp. 455
-
-
Häser, M.1
Ahlrichs, R.2
Baron, H.P.3
Weis, P.4
Horn, H.5
-
74
-
-
27744530363
-
-
Chen Z, Wannere CS, Corminboeuf C, Puchta R, von Ragué Schleyer P (2005) Chem Rev 105: 3842.
-
(2005)
Chem Rev
, vol.105
, pp. 3842
-
-
Chen, Z.1
Wannere, C.S.2
Corminboeuf, C.3
Puchta, R.4
von Ragué Schleyer, P.5
-
81
-
-
1642564655
-
-
Autschbach J, Hess BA, Johansson MP, Neugebauer J, Patzschke M, Pyykkö P, Reiher M, Sundholm D (2004) Phys Chem Chem Phys 6: 11.
-
(2004)
Phys Chem Chem Phys
, vol.6
, pp. 11
-
-
Autschbach, J.1
Hess, B.A.2
Johansson, M.P.3
Neugebauer, J.4
Patzschke, M.5
Pyykkö, P.6
Reiher, M.7
Sundholm, D.8
|