-
1
-
-
0001360843
-
-
Fast, P. L.; Corchado, J.; Sanchez, M. L.; Truhlar, D. G. J. Phys. Chem. A 1999, 103, 3139.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 3139
-
-
Fast, P.L.1
Corchado, J.2
Sanchez, M.L.3
Truhlar, D.G.4
-
2
-
-
0001360843
-
-
Fast, P. L.; Corchado, J.; Sanchez, M. L.; Truhlar, D. G. J. Phys. Chem. A 1999, 103, 5129.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 5129
-
-
Fast, P.L.1
Corchado, J.2
Sanchez, M.L.3
Truhlar, D.G.4
-
3
-
-
0000237719
-
-
Fast, P. L.; Corchado, J.; Sanchez, M. L.; Truhlar, D. G. J. Chem. Phys. 1999, 110, 11679.
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 11679
-
-
Fast, P.L.1
Corchado, J.2
Sanchez, M.L.3
Truhlar, D.G.4
-
4
-
-
0001317989
-
-
Fast, P. L.; Sanchez, M. L.; Truhlar, D. G. Chem. Phys. Lett. 1999, 306, 407.
-
(1999)
Chem. Phys. Lett.
, vol.306
, pp. 407
-
-
Fast, P.L.1
Sanchez, M.L.2
Truhlar, D.G.3
-
5
-
-
0002060359
-
-
Tratz, C. M.; Fast, P. L.; Truhlar, D. G. PhysChemComm 1999, 2, 14.
-
(1999)
PhysChemComm
, vol.2
, pp. 14
-
-
Tratz, C.M.1
Fast, P.L.2
Truhlar, D.G.3
-
9
-
-
0011682081
-
-
Pople, J. A.; Head-Gordon, M.; Raghavachari, K. J. Chem. Phys. 1987, 87, 5968.
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 5968
-
-
Pople, J.A.1
Head-Gordon, M.2
Raghavachari, K.3
-
10
-
-
0035828296
-
-
Masgrau, L.; Gonzalez-Lafont, A.; Lluch, J. M. J. Chem. Phys. 2001, 115, 4515.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 4515
-
-
Masgrau, L.1
Gonzalez-Lafont, A.2
Lluch, J.M.3
-
13
-
-
0037448504
-
-
Kim, Y.; Kim, J.; Kim, K. J. Phys. Chem. A 2003, 107, 301.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 301
-
-
Kim, Y.1
Kim, J.2
Kim, K.3
-
14
-
-
0000927464
-
-
Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Pople, J. A. J. Chem. Phys. 2000, 112, 1125.
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 1125
-
-
Curtiss, L.A.1
Raghavachari, K.2
Redfern, P.C.3
Pople, J.A.4
-
15
-
-
0035367320
-
-
Curtiss, L. A.; Redfern, P. C.; Rassolov, V.; Kedziora, G.; Pople, J. A. J. Chem. Phys. 2001, 114, 9287.
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 9287
-
-
Curtiss, L.A.1
Redfern, P.C.2
Rassolov, V.3
Kedziora, G.4
Pople, J.A.5
-
16
-
-
0035947544
-
-
Seo, Y.; Kim, Y.; Kim, Y. Chem. Phys. Lett. 2001, 340, 186.
-
(2001)
Chem. Phys. Lett.
, vol.340
, pp. 186
-
-
Seo, Y.1
Kim, Y.2
Kim, Y.3
-
17
-
-
0035881108
-
-
Park, C.-Y.; Kim, Y.; Kim, Y. J. Chem. Phys. 2001, 115, 2926.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 2926
-
-
Park, C.-Y.1
Kim, Y.2
Kim, Y.3
-
18
-
-
0035147937
-
-
Curtiss, L. A.; Redfern, P. C.; Raghavachari, K.; Pople, J. A. J. Chem. Phys. 2001, 114, 108.
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 108
-
-
Curtiss, L.A.1
Redfern, P.C.2
Raghavachari, K.3
Pople, J.A.4
-
23
-
-
33751157732
-
-
Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. J. Phys. Chem. 1994, 98, 11623.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623
-
-
Stephens, P.J.1
Devlin, F.J.2
Chabalowski, C.F.3
Frisch, M.J.4
-
26
-
-
0033572384
-
-
Adamo, C.; Cossi, M.; Barone, V. THEOCHEM 1999, 493, 145.
-
(1999)
THEOCHEM
, vol.493
, pp. 145
-
-
Adamo, C.1
Cossi, M.2
Barone, V.3
-
27
-
-
0033731344
-
-
Lynch, B. J.; Fast, P. L.; Harris, M.; Truhlar, D. G. J. Phys. Chem. A 2000, 104, 4811.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 4811
-
-
Lynch, B.J.1
Fast, P.L.2
Harris, M.3
Truhlar, D.G.4
-
28
-
-
0035935994
-
-
Wilson, P. J.; Bradley, T. J.; Tozer, D. J. J. Chem. Phys. 2001, 115, 9233.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 9233
-
-
Wilson, P.J.1
Bradley, T.J.2
Tozer, D.J.3
-
29
-
-
0037422363
-
-
Lynch, B. J.; Zhao, Y.; Truhlar, D. G. J. Phys. Chem. A 2003, 107, 1384.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 1384
-
-
Lynch, B.J.1
Zhao, Y.2
Truhlar, D.G.3
-
31
-
-
1542405228
-
-
Zhao, Y.; Pu, J.; Lynch, B. J.; Truhlar, D. G. Phys. Chem. Chem. Phys. 2004, 6, 673.
-
(2004)
Phys. Chem. Chem. Phys.
, vol.6
, pp. 673
-
-
Zhao, Y.1
Pu, J.2
Lynch, B.J.3
Truhlar, D.G.4
-
39
-
-
0001586585
-
-
Curtiss, L. A.; Redfern, P. C.; Raghavachari, K.; Rassolov, V.; Pople, J. A. J. Chem. Phys. 1999, 110, 4703.
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 4703
-
-
Curtiss, L.A.1
Redfern, P.C.2
Raghavachari, K.3
Rassolov, V.4
Pople, J.A.5
-
40
-
-
0012154673
-
-
Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Rassolov, V.; Pople, J. A. J. Chem. Phys. 1998, 109, 7764.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 7764
-
-
Curtiss, L.A.1
Raghavachari, K.2
Redfern, P.C.3
Rassolov, V.4
Pople, J.A.5
-
41
-
-
36549091139
-
-
Frisch, M. J.; Pople, J. A.; Binkley, J. S. J. Chem. Phys. 1984, 80, 3265.
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 3265
-
-
Frisch, M.J.1
Pople, J.A.2
Binkley, J.S.3
-
43
-
-
0141704726
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A.; Kudin, T. V., Jr.; 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, 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 B.01; Gaussian, Inc.: Pittsburgh, PA, 2003.
-
(2003)
Gaussian 03, 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
Montgomery, J.A.7
Kudin Jr., T.V.8
N., K.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, 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..
-
44
-
-
2942556343
-
-
University of Minnesota: Minneapolis
-
Rodgers, J. M.; Lynch, B. J.; Fast, P. L.; Zhao, Y.; Chuang, Y.-Y.; Pu, J.; Truhlar, D. G. MULTILEVEL, version 3.1; University of Minnesota: Minneapolis, 2003.
-
(2003)
MULTILEVEL, Version 3.1
-
-
Rodgers, J.M.1
Lynch, B.J.2
Fast, P.L.3
Zhao, Y.4
Chuang, Y.-Y.5
Pu, J.6
Truhlar, D.G.7
-
48
-
-
0002851019
-
-
Ziesche, P., Eschig, H., Eds.; Akademie Verlag; Berlin
-
Perdew, J. P. In Electronic Structure of Solids '91; Ziesche, P., Eschig, H., Eds.; Akademie Verlag; Berlin, 1991; p 11.
-
(1991)
Electronic Structure of Solids '91
, pp. 11
-
-
Perdew, J.P.1
-
49
-
-
0347170005
-
-
Hehre, W. J.; Ditchfield, R.; Pople, J. A. J. Chem. Phys. 1972, 56, 2257.
-
(1972)
J. Chem. Phys.
, vol.56
, pp. 2257
-
-
Hehre, W.J.1
Ditchfield, R.2
Pople, J.A.3
-
51
-
-
0030218597
-
-
Kohn, W.; Becke, A. D.; Parr, R. G. J. Phys. Chem. 1996, 100, 12974.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 12974
-
-
Kohn, W.1
Becke, A.D.2
Parr, R.G.3
|