-
3
-
-
0000820085
-
-
Arndsten, B.A.; Bergman, R.G.; Mobley, T.A.; Peterson, T.H. Acc. Chem. Res. 1995, 28, 154.
-
(1995)
Acc. Chem. Res.
, vol.28
, pp. 154
-
-
Arndsten, B.A.1
Bergman, R.G.2
Mobley, T.A.3
Peterson, T.H.4
-
10
-
-
33748242424
-
-
Schröder, D.; Schwarz, H. Angew. Chem., Int. Ed. Engl. 1990, 29, 1433.
-
(1990)
Angew. Chem., Int. Ed. Engl.
, vol.29
, pp. 1433
-
-
Schröder, D.1
Schwarz, H.2
-
11
-
-
33748243123
-
-
Schröder, D.; Schwarz, H. Angew. Chem., Int. Ed. Engl. 1995, 34, 1973.
-
(1995)
Angew. Chem., Int. Ed. Engl.
, vol.34
, pp. 1973
-
-
Schröder, D.1
Schwarz, H.2
-
12
-
-
0000575978
-
-
Clemmer, D.E.; Chen, Y.-M.; Kahn, F.A.; Armentrout, P.B. J. Phys. Chem. 1994, 98, 6522.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 6522
-
-
Clemmer, D.E.1
Chen, Y.-M.2
Kahn, F.A.3
Armentrout, P.B.4
-
14
-
-
0009601871
-
-
Wittborn, A.M.C.; Costas, M.; Blomberg, M.R.A.; Siegbahn, P.E.M. J. Chem. Phys. 1997, 107, 4318.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 4318
-
-
Wittborn, A.M.C.1
Costas, M.2
Blomberg, M.R.A.3
Siegbahn, P.E.M.4
-
16
-
-
12044249154
-
-
(a) Fiedler, A.; Schröder, D.; Shaik, S.; Schwartz, H. J. Am. Chem. Soc. 1994, 116, 10734.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 10734
-
-
Fiedler, A.1
Schröder, D.2
Shaik, S.3
Schwartz, H.4
-
18
-
-
84987350931
-
-
Shaik, S.; Fiedler, A.; Schröder, D.; Schwartz, H. Helv. Chim. Acta 1995, 78, 1393.
-
(1995)
Helv. Chim. Acta
, vol.78
, pp. 1393
-
-
Shaik, S.1
Fiedler, A.2
Schröder, D.3
Schwartz, H.4
-
19
-
-
0030752369
-
-
(a) Yoshizawa, K.; Shiota, Y.; Yamabe, T. Chem. Eur. J. 1997, 3, 1160.
-
(1997)
Chem. Eur. J.
, vol.3
, pp. 1160
-
-
Yoshizawa, K.1
Shiota, Y.2
Yamabe, T.3
-
20
-
-
0032573843
-
-
(b) Yoshizawa, K.; Shiota, Y.; Yamabe, T. J. Am. Chem. Soc. 1998, 120, 564.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 564
-
-
Yoshizawa, K.1
Shiota, Y.2
Yamabe, T.3
-
21
-
-
11644305451
-
-
(c) Yoshizawa, K.; Shiota, Y.; Yamabe, T. Organometallics 1998, 17, 2825.
-
(1998)
Organometallics
, vol.17
, pp. 2825
-
-
Yoshizawa, K.1
Shiota, Y.2
Yamabe, T.3
-
22
-
-
0001638012
-
-
(a) Kauffman, J.W.; Hauge, R.H.; Margrave, J.L. J. Phys. Chem. 1985, 89, 3541; 3547.
-
(1985)
J. Phys. Chem.
, vol.89
, pp. 3541
-
-
Kauffman, J.W.1
Hauge, R.H.2
Margrave, J.L.3
-
23
-
-
0023952878
-
-
(b) Park, M.; Hauge, R.H.; Margrave, J.L. High Temp. Sci. 1988, 25, 1.
-
(1988)
High Temp. Sci.
, vol.25
, pp. 1
-
-
Park, M.1
Hauge, R.H.2
Margrave, J.L.3
-
24
-
-
0034300999
-
-
(c) Zhang, L.N.; Dong, J.; Zhou, M.F. J. Phys. Chem. A 2000, 104, 8882.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 8882
-
-
Zhang, L.N.1
Dong, J.2
Zhou, M.F.3
-
25
-
-
0034327161
-
-
(d) Zhou, M.F.; Zhang, L.N.; Dong, J.; Qin, Q. J. Am. Chem. Soc. 2000, 122, 10680; 2001, 123, 135.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 10680
-
-
Zhou, M.F.1
Zhang, L.N.2
Dong, J.3
Qin, Q.4
-
26
-
-
0035835060
-
-
(d) Zhou, M.F.; Zhang, L.N.; Dong, J.; Qin, Q. J. Am. Chem. Soc. 2000, 122, 10680; 2001, 123, 135.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 135
-
-
-
27
-
-
0035928149
-
-
(e) Zhou, M.F.; Zhang, L.N.; Shao, L.M.; Wang, W.N.; Fan, K.N.; Qin, Q. J. Phys. Chem. A 2001, 105, 5801.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 5801
-
-
Zhou, M.F.1
Zhang, L.N.2
Shao, L.M.3
Wang, W.N.4
Fan, K.N.5
Qin, Q.6
-
28
-
-
0035955013
-
-
(f) Zhang, L.N.; Zhou, M.F.; Shao, L.M.; Wang, W.N.; Fan, K.N.; Qin, Q. J. Phys. Chem. A 2001, 105, 6998.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 6998
-
-
Zhang, L.N.1
Zhou, M.F.2
Shao, L.M.3
Wang, W.N.4
Fan, K.N.5
Qin, Q.6
-
30
-
-
0000702010
-
-
(b) Burkholder, T.R.; Andrews, L.; Bartlett, R.J. J. Phys. Chem. 1993, 97, 3500.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 3500
-
-
Burkholder, T.R.1
Andrews, L.2
Bartlett, R.J.3
-
35
-
-
0001681909
-
-
(g) Galan, F.; Fouassier, M.; Tranquille, M.; Mascetti, J.; Papai, L. J. Phys. Chem. A 1997, 101, 2626.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 2626
-
-
Galan, F.1
Fouassier, M.2
Tranquille, M.3
Mascetti, J.4
Papai, L.5
-
36
-
-
0031748885
-
-
Greene, T.M.; Lansizera, D.V.; Andrews, L.; Downs, A.J. J. Am. Chem. Soc. 1998, 120, 6097.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 6097
-
-
Greene, T.M.1
Lansizera, D.V.2
Andrews, L.3
Downs, A.J.4
-
37
-
-
0001069056
-
-
(a) Broclawik, E.; Yamauchi, R.; Endou, A.; Kubo, M.; Miyamoto, A. J. Chem. Phys. 1996, 104, 4098.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 4098
-
-
Broclawik, E.1
Yamauchi, R.2
Endou, A.3
Kubo, M.4
Miyamoto, A.5
-
38
-
-
0000812464
-
-
(b) Broclawik, E.; Yamauchi, R.; Endou, A.; Kubo, M.; Miyamoto, A. Int. J. Quantum Chem. 1997, 61, 673.
-
(1997)
Int. J. Quantum Chem.
, vol.61
, pp. 673
-
-
Broclawik, E.1
Yamauchi, R.2
Endou, A.3
Kubo, M.4
Miyamoto, A.5
-
40
-
-
0035868967
-
-
Bärsch, S.; Schröder, D.; Schwarz, H.; Armentrout, P.B. J. Phys. Chem. A 2001, 105, 2005.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 2005
-
-
Bärsch, S.1
Schröder, D.2
Schwarz, H.3
Armentrout, P.B.4
-
42
-
-
0141917879
-
NIST chemistry webbook
-
February
-
NIST Chemistry Webbook; NIST Standard Reference DataBase Number 69, February 2000 release (http://webbook.nist.gov/chemistry/).
-
(2000)
NIST Standard Reference DataBase
, vol.69
-
-
-
44
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R.G. Phys. Rev. B 1988, 37, 785.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
48
-
-
28944448300
-
-
Dunning, T.H., Jr. J. Chem. Phys. 1971, 55, 716; 1970, 53, 2823.
-
(1970)
J. Chem. Phys.
, vol.53
, pp. 2823
-
-
-
49
-
-
43949164303
-
-
Ehlers, A.W.; Böhme, M.; Dapprich, S.; Gobbi, A.; Hölwarth, A.; Jonas, V.; Köhler, K.F.; Stegmann, R.; Veldkamp, A.; Freaking, G. Chem. Phys. Lett. 1993, 208, 111.
-
(1993)
Chem. Phys. Lett.
, vol.208
, pp. 111
-
-
Ehlers, A.W.1
Böhme, M.2
Dapprich, S.3
Gobbi, A.4
Hölwarth, A.5
Jonas, V.6
Köhler, K.F.7
Stegmann, R.8
Veldkamp, A.9
Freaking, G.10
-
50
-
-
11744322674
-
-
Andrae, D.; Haussermann, U.; Dolg, U.M.; Stoll, H.; Preuss, H. Theor. Chim. Acta 1990, 77, 123.
-
(1990)
Theor. Chim. Acta
, vol.77
, pp. 123
-
-
Andrae, D.1
Haussermann, U.2
Dolg, U.M.3
Stoll, H.4
Preuss, H.5
-
52
-
-
0001488217
-
-
Cui, Q.; Musaev, D.G.; Morokuma, K. J. Chem. Phys. 1998, 108, 8418.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 8418
-
-
Cui, Q.1
Musaev, D.G.2
Morokuma, K.3
-
58
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M.J.; Trucks, G.W.; Schlegel, H.B.; Scuseria, G.E.; Robb, M.A.; Cheeseman, J.R.; Zakrzewski, V.G.; Montgomery, J.A., Jr.; Stratmann, R.E.; Burant, J.C.; Dapprich, S.; Millam, J.M.; Daniels, A.D.; Kudin, K.N.; Strain, M.C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G.A.; Ayala, P.Y.; Cui, Q.; Morokuma, K.; Malick, D.K.; Rabuck, A.D.; Raghavachari, K.; Foresman, J.B.; Cioslowski, J.; Ortiz, J.V.; Baboul, A.G.; Stefanov, B.B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R.L.; Fox, D.J.; Keith, T.; Al-Laham, M.A.; Peng, C.Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P.M.W.; Johnson, B.; Chen, W.; Wong, M.W.; Andres, J.L.; Head-Gordon, M.; Replogle, E.S.; Pople, J.A. Gaussian 98, Revision A.7; Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98, Revision A.7
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery J.A., Jr.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Baboul, A.G.36
Stefanov, B.B.37
Liu, G.38
Liashenko, A.39
Piskorz, P.40
Komaromi, I.41
Gomperts, R.42
Martin, R.L.43
Fox, D.J.44
Keith, T.45
Al-Laham, M.A.46
Peng, C.Y.47
Nanayakkara, A.48
Gonzalez, C.49
Challacombe, M.50
Gill, P.M.W.51
Johnson, B.52
Chen, W.53
Wong, M.W.54
Andres, J.L.55
Head-Gordon, M.56
Replogle, E.S.57
Pople, J.A.58
more..
-
59
-
-
0012154387
-
-
note
-
MOLPRO is a package of ab initio programs written by H.-J. Werner and P.J. Knowles, with contributions from J. Almlöf, R.D. Amos, M.J.O. Deegan, S.T. Elbert, C. Hampel, W. Meyer, K. Peterson, R. Pitzer, A.J. Stone, P.R. Taylor, and R. Lindh.
-
-
-
-
61
-
-
0001313453
-
-
(a) Green, D.W.; Reedy, G.T.; Kay, J.G. J. Mol. Spectrosc. 1979, 78, 257.
-
(1979)
J. Mol. Spectrosc.
, vol.78
, pp. 257
-
-
Green, D.W.1
Reedy, G.T.2
Kay, J.G.3
-
65
-
-
0039862351
-
-
(c) Bakalbassis, E.G.; Stiakaki, M.A.D.; Tsipis, A.C.; Tsipis, C.A. Chem. Phys. 1996, 205, 389.
-
(1996)
Chem. Phys.
, vol.205
, pp. 389
-
-
Bakalbassis, E.G.1
Stiakaki, M.A.D.2
Tsipis, A.C.3
Tsipis, C.A.4
-
66
-
-
0000222973
-
-
Watson, L.R.; Thiem, T.L.; Dressier, R.A.; Salter, R.H.; Murad, A. J. Phys. Chem. 1993, 97, 5577.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 5577
-
-
Watson, L.R.1
Thiem, T.L.2
Dressier, R.A.3
Salter, R.H.4
Murad, A.5
-
72
-
-
36549103278
-
-
Bauschlicher, C.W.; Nelin, C.J.; Bagus, P.S. J. Chem. Phys. 1985, 82, 3265.
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 3265
-
-
Bauschlicher, C.W.1
Nelin, C.J.2
Bagus, P.S.3
-
73
-
-
0025757542
-
-
Schwerdtfeger, P.; McFeaters, J.M.; Moore, J.J.; McPherson, D.M.; Cooney, R.P.; Bowmaker, G.A.; Dolg, M.; Andreae, D. Langmuir 1991, 7, 116.
-
(1991)
Langmuir
, vol.7
, pp. 116
-
-
Schwerdtfeger, P.1
McFeaters, J.M.2
Moore, J.J.3
McPherson, D.M.4
Cooney, R.P.5
Bowmaker, G.A.6
Dolg, M.7
Andreae, D.8
-
74
-
-
0039601541
-
-
Chung, S.-C.; Krüger, S.; Pacchioni, G.; Rösch, N. J. Chem. Phys. 1995, 102, 3695.
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 3695
-
-
Chung, S.-C.1
Krüger, S.2
Pacchioni, G.3
Rösch, N.4
-
77
-
-
0037742151
-
-
Schröder, D.; Shaik, S.; Schwarz, H. Acc. Chem. Res. 2000, 33, 139.
-
(2000)
Acc. Chem. Res.
, vol.33
, pp. 139
-
-
Schröder, D.1
Shaik, S.2
Schwarz, H.3
|