-
2
-
-
0003396304
-
-
John Wiley & Sons, Ltd., Chichester, UK
-
'Encyclopedia of Computational Chemistry', Ed. Paul von Ragué Schleyer, John Wiley & Sons, Ltd., Chichester, UK, 1998.
-
(1998)
Encyclopedia of Computational Chemistry
-
-
Von Ragué Schleyer, P.1
-
9
-
-
0006244148
-
-
K. Raghavachari, G. W. Trucks, M. Head-Gordon, J. A. Pople, Chem. Phys. Lett. 1989, 157, 479.
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479
-
-
Raghavachari, K.1
Trucks, G.W.2
Head-Gordon, M.3
Pople, J.A.4
-
10
-
-
0343532153
-
-
M. Urban, J. Noga, S. J. Cole, R. J. Barllett, J. Chem. Phys. 1985, 83, 4041.
-
(1985)
J. Chem. Phys.
, vol.83
, pp. 4041
-
-
Urban, M.1
Noga, J.2
Cole, S.J.3
Barllett, R.J.4
-
13
-
-
4143095330
-
-
R. A. Kendall, T.H. Dunning Jr., R. J. Harrison, J. Chem. Phys. 1992, 96, 6796.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning Jr., T.H.2
Harrison, R.J.3
-
15
-
-
0010408411
-
-
K. A. Peterson, D. E. Woon, T. H. Dunning Jr., J. Chem. Phys. 1994, 100, 7410.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 7410
-
-
Peterson, K.A.1
Woon, D.E.2
Dunning Jr., T.H.3
-
16
-
-
0041536947
-
-
A. Wilson, T. van Mourik, T. H. Dunning Jr., J. Mol. Struct. (Theochem.) 1997, 388, 339.
-
(1997)
J. Mol. Struct. (Theochem.)
, vol.388
, pp. 339
-
-
Wilson, A.1
Van Mourik, T.2
Dunning Jr., T.H.3
-
17
-
-
0004399657
-
-
M. S. Gordon, K. A. Nguyen, D. G. Truhlar, J. Phys. Chem. 1989, 93, 3756.
-
(1989)
J. Phys. Chem.
, vol.93
, pp. 3756
-
-
Gordon, M.S.1
Nguyen, K.A.2
Truhlar, D.G.3
-
18
-
-
36549091806
-
-
G. A. Petersson, A. Bennett, T. G. Tensfeldt, M. A. Al-Laham, W. A. Shirley, J. Mantzaris, J. Chem. Phys. 1988, 89, 2193.
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 2193
-
-
Petersson, G.A.1
Bennett, A.2
Tensfeldt, T.G.3
Al-Laham, M.A.4
Shirley, W.A.5
Mantzaris, J.6
-
20
-
-
36449007061
-
-
G. A. Petersson, T. G. Tensfeldt, J. A. Montgomery Jr., J. Chem. Phys. 1991, 94, 6091.
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 6091
-
-
Petersson, G.A.1
Tensfeldt, T.G.2
Montgomery Jr., J.A.3
-
21
-
-
0000215083
-
-
J. A. Montgomery Jr., J. W. Ochterski, G. A. Petersson, J. Chem. Phys. 1994, 101, 5900.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 5900
-
-
Montgomery Jr., J.A.1
Ochterski, J.W.2
Petersson, G.A.3
-
22
-
-
0038269037
-
-
J. W. Ochterski, G. A. Petersson, J. A. Montgomery Jr., J. Chem. Phys. 1996, 104, 2598.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 2598
-
-
Ochterski, J.W.1
Petersson, G.A.2
Montgomery Jr., J.A.3
-
27
-
-
0032502389
-
-
A. Halkier, T. Helgaker, P. Jørgensen, W. Klopper, H. Koch, J. Olson, A. K. Wilson, Chem. Phys. Lett. 1998, 286, 243.
-
(1998)
Chem. Phys. Lett.
, vol.286
, pp. 243
-
-
Halkier, A.1
Helgaker, T.2
Jørgensen, P.3
Klopper, W.4
Koch, H.5
Olson, J.6
Wilson, A.K.7
-
28
-
-
0000561826
-
-
K. A. Peterson, R. A. Kendall, T. H. Dunning, Jr., J. Chem. Phys. 1993, 99, 9790.
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 9790
-
-
Peterson, K.A.1
Kendall, R.A.2
Dunning Jr., T.H.3
-
31
-
-
0001360843
-
-
P. L. Fast, J. Corchado, M. L. Sanchez, D. G. Truhlar, 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
-
33
-
-
0004427425
-
-
M. Dallos, T. Müller, H. Lischka, R. Shepard, J. Chem. Phys. 2001, 114, 748.
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 748
-
-
Dallos, M.1
Müller, T.2
Lischka, H.3
Shepard, R.4
-
34
-
-
0035624881
-
-
T. Müller, M. Dallos, H. Lischka, Z. Dubrovay, P. G. Szalay, Theor. Chem. Acc. 2001, 105, 227.
-
(2001)
Theor. Chem. Acc.
, vol.105
, pp. 227
-
-
Müller, T.1
Dallos, M.2
Lischka, H.3
Dubrovay, Z.4
Szalay, P.G.5
-
37
-
-
0001011295
-
-
M. Schütz, S. Brdarski, P.-O. Widmark, R. Lindh, G. Karlström, J. Chem. Phys. 1997, 107, 4597.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 4597
-
-
Schütz, M.1
Brdarski, S.2
Widmark, P.-O.3
Lindh, R.4
Karlström, G.5
-
38
-
-
33847603035
-
-
Lecture presented Bratislava, April
-
R. Zahradník, Lecture presented at the Comenius University, Bratislava, April 2000.
-
(2000)
Comenius University
-
-
Zahradník, R.1
-
39
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh PA
-
M. J. Frish, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennuci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Ciolowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, J. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzales, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzales, M. Head-Gordon, E. S. Replogle, J. A. Pople, 'Gaussian 98', Revision A.6, Gaussian, Inc., Pittsburgh PA, 1998.
-
(1998)
'Gaussian 98', Revision A.6
-
-
Frish, 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 Jr., J.A.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
Mennuci, 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
Ciolowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, J.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzales, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Gonzales, C.55
Head-Gordon, M.56
Replogle, E.S.57
Pople, J.A.58
more..
-
41
-
-
0004392960
-
-
J. A. Pople, M. Head-Gordon, K. Raghavachari, J. Chem. Phys. 1987, 87, 59.
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 59
-
-
Pople, J.A.1
Head-Gordon, M.2
Raghavachari, K.3
-
42
-
-
36549098398
-
-
G. E. Scuseria, C. L. Jansen, H. F. Schaefer III, J. Chem. Phys. 1988, 89, 7382.
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 7382
-
-
Scuseria, G.E.1
Jansen, C.L.2
Schaefer III, H.F.3
-
46
-
-
0030079225
-
-
M. W. Feyereisen, D. Feller, D. A. Dixon, J. Phys. Chem. 1996, 100, 2993.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 2993
-
-
Feyereisen, M.W.1
Feller, D.2
Dixon, D.A.3
-
47
-
-
0000883826
-
-
J. V. Burda, R. Zahradník, P. Hobza, M. Urban, Mol. Phys. 1996, 89, 425.
-
(1996)
Mol. Phys.
, vol.89
, pp. 425
-
-
Burda, J.V.1
Zahradník, R.2
Hobza, P.3
Urban, M.4
-
48
-
-
0032349390
-
-
P. Hobza, J. V. Burda, R. Zahradník, Polish J. Chem. 1998, 72, 1497.
-
(1998)
Polish J. Chem.
, vol.72
, pp. 1497
-
-
Hobza, P.1
Burda, J.V.2
Zahradník, R.3
-
49
-
-
0032523297
-
-
P. Hobza, J. V. Burda, R. Zahradník, Chem. Phys. Lett. 1998, 288, 20.
-
(1998)
Chem. Phys. Lett.
, vol.288
, pp. 20
-
-
Hobza, P.1
Burda, J.V.2
Zahradník, R.3
-
50
-
-
0033165944
-
-
P. Hobza, J. Bludský, S. Suhai, Phys. Chem. Chem. Phys. 1999, 1, 3073.
-
(1999)
Phys. Chem. Chem. Phys.
, vol.1
, pp. 3073
-
-
Hobza, P.1
Bludský, J.2
Suhai, S.3
-
51
-
-
0000916823
-
-
T. van Mourik, A. K. Wilson, T. H. Dunning Jr., Mol. Phys. 1999, 96, 529.
-
(1999)
Mol. Phys.
, vol.96
, pp. 529
-
-
Van Mourik, T.1
Wilson, A.K.2
Dunning Jr., T.H.3
-
52
-
-
0004368983
-
-
R. A. Aziz, W. J. Meath, A. R. Allnatt, Chem. Phys. 1983, 78, 395.
-
(1983)
Chem. Phys.
, vol.78
, pp. 395
-
-
Aziz, R.A.1
Meath, W.J.2
Allnatt, A.R.3
|