-
2
-
-
0003718639
-
-
Wave-function, Inc., Irvine, CA
-
[2] W.J. Hehre, L.D. Burke, A.J. Shusterman and W.J. Pietro, Experiments in Computational Organic Chemistry, (Wave-function, Inc., Irvine, CA, 1993).
-
(1993)
Experiments in Computational Organic Chemistry
-
-
Hehre, W.J.1
Burke, L.D.2
Shusterman, A.J.3
Pietro, W.J.4
-
17
-
-
0030581027
-
-
and references therein
-
[17] B.S. Jursic, Chem. Phys. Lett. 256 (1996) 603 and references therein.
-
(1996)
Chem. Phys. Lett.
, vol.256
, pp. 603
-
-
Jursic, B.S.1
-
18
-
-
77956710818
-
Computing transition state structures with density functional theory methods
-
J.M. Seminario, Ed. Elsevier, Amsterdam
-
[18] B.S. Jursic, Computing Transition State Structures with Density Functional Theory Methods, in: Recent Developments and Applications of Modem Density Functional Theory, J.M. Seminario, Ed. (Elsevier, Amsterdam, 1996), p 709.
-
(1996)
Recent Developments and Applications of Modem Density Functional Theory
, pp. 709
-
-
Jursic, B.S.1
-
20
-
-
0010936106
-
-
Revision B.3 Gaussian, Inc., Pittsburgh, PA
-
[20] M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez and J.A. Pople, Gaussian 94, Revision B.3 (Gaussian, Inc., Pittsburgh, PA, 1995).
-
(1995)
Gaussian
, vol.94
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Peng, C.Y.16
Ayala, P.Y.17
Chen, W.18
Wong, M.W.19
Andres, J.L.20
Replogle, E.S.21
Gomperts, R.22
Martin, R.L.23
Fox, D.J.24
Binkley, J.S.25
Defrees, D.J.26
Baker, J.27
Stewart, J.P.28
Head-Gordon, M.29
Gonzalez, C.30
Pople, J.A.31
more..
-
21
-
-
36549094943
-
-
[21] J.A. Pople, M. Head-Gordon, D.J. Fox, K. Raghavachari and L.A. Curtiss, J. Chem. Phys. 90 (1989) 5622.
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 5622
-
-
Pople, J.A.1
Head-Gordon, M.2
Fox, D.J.3
Raghavachari, K.4
Curtiss, L.A.5
-
22
-
-
0000664876
-
-
[22] L.A. Curtiss, C. Jones, G.W. Trucks, K. Raghavachari and J.A. Pople, J. Chem. Phys. 93 (1990) 2537.
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 2537
-
-
Curtiss, L.A.1
Jones, C.2
Trucks, G.W.3
Raghavachari, K.4
Pople, J.A.5
-
32
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh, PA
-
[32] M.J. Frisch, Æ. Frisch and J.B. Foresman, Gaussian 94 User's Reference (Gaussian, Inc., Pittsburgh, PA, 1995).
-
(1995)
Gaussian 94 User's Reference
-
-
Frisch, M.J.1
Frisch, Æ.2
Foresman, J.B.3
-
33
-
-
0002884010
-
-
and references therein
-
[33] J. Baker, J. Andzelm, M. Muir and P.R. Taylor, Chem. Phys. Lett. 237 (1995) 53, and references therein
-
(1995)
Chem. Phys. Lett.
, vol.237
, pp. 53
-
-
Baker, J.1
Andzelm, J.2
Muir, M.3
Taylor, P.R.4
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