-
2
-
-
0033741579
-
-
A.M. Clark, C.E. F Rickard, W.R. Roper, T.J. Woodman, and L.J. Wright Organometallics 19 2000 1766
-
(2000)
Organometallics
, vol.19
, pp. 1766
-
-
Clark, A.M.1
Rickard C E, F.2
Roper, W.R.3
Woodman, T.J.4
Wright, L.J.5
-
3
-
-
0038157146
-
-
M.A. Esteruelas, A. Lledos, F. Maseras, M. Olivan, E. Oñate, M.A. Tajada, and J. Tomas Organometallics 22 2003 2087
-
(2003)
Organometallics
, vol.22
, pp. 2087
-
-
Esteruelas, M.A.1
Lledos, A.2
Maseras, F.3
Olivan, M.4
Oñate, E.5
Tajada, M.A.6
Tomas, J.7
-
8
-
-
85170490921
-
-
PhD Thesis, Università Ca' Foscari di Venezia, Venice
-
M. Bortoluzzi, PhD Thesis, Universit Ca' Foscari di Venezia, Venice, 2004.
-
(2004)
-
-
Bortoluzzi, M.1
-
9
-
-
33748563588
-
-
G. Albertin, S. Antoniutti, A. Bacchi, M. Bortoluzzi, G. Pelizzi, and G. Zanardo Organometallics 25 2006 4235
-
(2006)
Organometallics
, vol.25
, pp. 4235
-
-
Albertin, G.1
Antoniutti, S.2
Bacchi, A.3
Bortoluzzi, M.4
Pelizzi, G.5
Zanardo, G.6
-
10
-
-
36249001627
-
-
G. Albertin, S. Antoniutti, J. Castro, S. Garcia-Fontan, and M. No Dalton Trans. 2007 5441
-
(2007)
Dalton Trans.
, pp. 5441
-
-
Albertin, G.1
Antoniutti, S.2
Castro, J.3
Garcia-Fontan, S.4
No, M.5
-
11
-
-
52649105931
-
-
G. Albertin, G.S. Antoniutti, A. Bacchi, G. Pelizzi, and G. Zanardo Organometallics 27 2008 4407
-
(2008)
Organometallics
, vol.27
, pp. 4407
-
-
Albertin, G.1
Antoniutti, G.S.2
Bacchi, A.3
Pelizzi, G.4
Zanardo, G.5
-
15
-
-
47249160349
-
-
G. Albertin, S. Antoniutti, J. Castro, S. García Fontán, and G. Zanardo Organometallics 27 2008 2789
-
(2008)
Organometallics
, vol.27
, pp. 2789
-
-
Albertin, G.1
Antoniutti, S.2
Castro, J.3
García Fontán, S.4
Zanardo, G.5
-
16
-
-
34249950490
-
-
G. Albertin, S. Antoniutti, J. Castro, S. García Fontán, and G. Zanardo Organometallics 26 2007 2918
-
(2007)
Organometallics
, vol.26
, pp. 2918
-
-
Albertin, G.1
Antoniutti, S.2
Castro, J.3
García Fontán, S.4
Zanardo, G.5
-
18
-
-
0035929975
-
-
M. Turki, C. Daniel, S. Zalis, A. Vlcek Jr., J. Van Slageren, and D.J. Stufkens J. Am. Chem. Soc. 123 2001 11431
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 11431
-
-
Turki, M.1
Daniel, C.2
Zalis, S.3
Vlcek Jr., A.4
Van Slageren, J.5
Stufkens, D.J.6
-
21
-
-
0001303258
-
-
M.P. Aarnts, M.P. Wilms, K. Peelen, J. Fraanje, K. Goubitz, F. Hartl, D.J. Stufkens, E.J. Baerends, and A. Vlčeck Jr. Inorg. Chem. 35 1996 5468
-
(1996)
Inorg. Chem.
, vol.35
, pp. 5468
-
-
Aarnts, M.P.1
Wilms, M.P.2
Peelen, K.3
Fraanje, J.4
Goubitz, K.5
Hartl, F.6
Stufkens, D.J.7
Baerends, E.J.8
Vlčeck Jr., A.9
-
26
-
-
0011700832
-
-
For some examples see: P. Diversi, M. Fontani, M. Fuligni, F. Laschi, S. Matteoni, C. Pinzino, and P. Zanello J. Organomet. Chem. 626 2001 145
-
(2001)
J. Organomet. Chem.
, vol.626
, pp. 145
-
-
Diversi, P.1
Fontani, M.2
Fuligni, M.3
Laschi, F.4
Matteoni, S.5
Pinzino, C.6
Zanello, P.7
-
28
-
-
0034323355
-
-
S.T.N. Freeman, F.R. Lemke, C.M. Haar, S.P. Nolan, and J.L. Petersen Organometallics 19 2000 4828
-
(2000)
Organometallics
, vol.19
, pp. 4828
-
-
Freeman, S.T.N.1
Lemke, F.R.2
Haar, C.M.3
Nolan, S.P.4
Petersen, J.L.5
-
29
-
-
67650410097
-
-
P. Ghosh, P.J. Fagan, W.J. Marshall, E. Hauptman, and R. Morris Bullock Inorg. Chem. 48 2009 6490
-
(2009)
Inorg. Chem.
, vol.48
, pp. 6490
-
-
Ghosh, P.1
Fagan, P.J.2
Marshall, W.J.3
Hauptman, E.4
Morris Bullock, R.5
-
33
-
-
1242339730
-
-
G. Albertin, S. Antoniutti, A. Bacchi, C. D'Este, and G. Pelizzi Inorg. Chem. 43 2004 1336
-
(2004)
Inorg. Chem.
, vol.43
, pp. 1336
-
-
Albertin, G.1
Antoniutti, S.2
Bacchi, A.3
D'Este, C.4
Pelizzi, G.5
-
49
-
-
33746563448
-
-
Spartan '08, version 1.1.1, Wavefun Inc. Irvine, CA, 2009. Except for molecular mechanics and semi-empirical models, the calculation methods used in Spartan have been documented in: Y. Shao, L.F. Molnar, Y. Jung, J. Kussmann, C. Ochsenfeld, S.T. Brown, A.T.B. Gilbert, L.V. Slipchenko, S.V. Levchenko, D.P. O'Neill, R.A. DiStasio Jr., R.C. Lochan, T. Wang, G.J.O. Beran, N.A. Besley, J.M. Herbert, C.Y. Lin, T. Van Voorhis, S.H. Chien, A. Sodt, R.P. Steele, V.A. Rassolov, P.E. Maslen, P.P. Korambath, R.D. Adamson, B. Austin, J. Baker, E.F.C. Byrd, H. Dachsel, R.J. Doerksen, A. Dreuw, B.D. Dunietz, A.D. Dutoi, T.R. Furlani, S.R. Gwaltney, A. Heyden, S. Hirata, C-P. Hsu, G. Kedziora, R.Z. Khalliulin, P. Klunzinger, A.M. Lee, M.S. Lee, W.Z. Liang, I. Lotan, N. Nair, B. Peters, E.I. Proynov, P.A. Pieniazek, Y.M. Rhee, J. Ritchie, E. Rosta, C.D. Sherrill, A.C. Simmonett, J.E. Subotnik, H.L. Woodcock III, W. Zhang, A.T. Bell, A.K. Chakraborty, D.M. Chipman, F.J. Keil, A. Warshel, W.J. Hehre, H.F. Schaefer, J. Kong, A.I. Krylov, P.M.W. Gill, and M. Head-Gordon Phys. Chem. Chem. Phys. 8 2006 3172 A discussion and assessment of commonly-used calculation methods is found in: W.J. Hehre, A Guide to Molecular Mechanics and Quantum Chemical Calculations, Wavefunction, Inc., Irvine, CA, 2003
-
(2006)
Phys. Chem. Chem. Phys.
, vol.8
, pp. 3172
-
-
Shao, Y.1
Molnar, L.F.2
Jung, Y.3
Kussmann, J.4
Ochsenfeld, C.5
Brown, S.T.6
Gilbert, A.T.B.7
Slipchenko, L.V.8
Levchenko, S.V.9
O'Neill, D.P.10
DiStasio Jr., R.A.11
Lochan, R.C.12
Wang, T.13
Beran, G.J.O.14
Besley, N.A.15
Herbert, J.M.16
Lin, C.Y.17
Van Voorhis, T.18
Chien, S.H.19
Sodt, A.20
Steele, R.P.21
Rassolov, V.A.22
Maslen, P.E.23
Korambath, P.P.24
Adamson, R.D.25
Austin, B.26
Baker, J.27
Byrd, E.F.C.28
Dachsel, H.29
Doerksen, R.J.30
Dreuw, A.31
Dunietz, B.D.32
Dutoi, A.D.33
Furlani, T.R.34
Gwaltney, S.R.35
Heyden, A.36
Hirata, S.37
Hsu, C.-P.38
Kedziora, G.39
Khalliulin, R.Z.40
Klunzinger, P.41
Lee, A.M.42
Lee, M.S.43
Liang, W.Z.44
Lotan, I.45
Nair, N.46
Peters, B.47
Proynov, E.I.48
Pieniazek, P.A.49
Rhee, Y.M.50
Ritchie, J.51
Rosta, E.52
Sherrill, C.D.53
Simmonett, A.C.54
Subotnik, J.E.55
Woodcock III, H.L.56
Zhang, W.57
Bell, A.T.58
Chakraborty, A.K.59
Chipman, D.M.60
Keil, F.J.61
Warshel, A.62
Hehre, W.J.63
Schaefer, H.F.64
Kong, J.65
Krylov, A.I.66
Gill, P.M.W.67
Head-Gordon, M.68
more..
-
58
-
-
75749083809
-
-
Gaussian, Inc., Wallingford, CT
-
gaussian 09, Revision B.01, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery, Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, O. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, D.J. Fox, Gaussian, Inc., Wallingford, CT, 2010.
-
(2010)
Gaussian 09, Revision B.01
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
Nakatsuji, H.11
Caricato, M.12
Li, X.13
Hratchian, H.P.14
Izmaylov, A.F.15
Bloino, J.16
Zheng, G.17
Sonnenberg, J.L.18
Hada, M.19
Ehara, M.20
Toyota, K.21
Fukuda, R.22
Hasegawa, J.23
Ishida, M.24
Nakajima, T.25
Honda, Y.26
Kitao, O.27
Nakai, H.28
Vreven, T.29
Montgomery Jr., J.A.30
Peralta, J.E.31
Ogliaro, F.32
Bearpark, M.33
Heyd, J.J.34
Brothers, E.35
Kudin, K.N.36
Staroverov, V.N.37
Keith, T.38
Kobayashi, R.39
Normand, J.40
Raghavachari, K.41
Rendell, A.42
Burant, J.C.43
Iyengar, S.S.44
Tomasi, J.45
Cossi, M.46
Rega, N.47
Millam, J.M.48
Klene, M.49
Knox, J.E.50
Cross, J.B.51
Bakken, V.52
Adamo, C.53
Jaramillo, J.54
Gomperts, R.55
Stratmann, R.E.56
Yazyev, O.57
Austin, A.J.58
Cammi, R.59
Pomelli, C.60
Ochterski, J.W.61
Martin, R.L.62
Morokuma, K.63
Zakrzewski, V.G.64
Voth, G.A.65
Salvador, P.66
Dannenberg, J.J.67
Dapprich, S.68
Daniels, A.D.69
Farkas, O.70
Foresman, J.B.71
Ortiz, J.V.72
Cioslowski, J.73
Fox, D.J.74
more..
|