-
1
-
-
0004107550
-
-
Prentice-Hall: Engle-wood Cliffs, NJ, Chapter 17
-
Levine, I. N. Quantum Chemistry, 4th ed.; Prentice-Hall: Engle-wood Cliffs, NJ, 1993; Chapter 17.
-
(1993)
Quantum Chemistry, 4th Ed.
-
-
Levine, I.N.1
-
2
-
-
0001525046
-
-
Younkin, J. M.; Smith, L. J.; Compton, R. N. Theor, Chim. Acta (Berlin) 1976, 41, 157-176.
-
(1976)
Theor, Chim. Acta (Berlin)
, vol.41
, pp. 157-176
-
-
Younkin, J.M.1
Smith, L.J.2
Compton, R.N.3
-
5
-
-
36549094943
-
-
Pople, J. A.; Head-Gordon, M.; Fox, D. J.; Raghavachari, K.; Curtiss, L. A. J. Chem. Phys. 1989, 90, 5622-5629.
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 5622-5629
-
-
Pople, J.A.1
Head-Gordon, M.2
Fox, D.J.3
Raghavachari, K.4
Curtiss, L.A.5
-
6
-
-
0000664876
-
-
Curtiss, L. A.; Jones, C.; Trucks, G. W.; Raghavachari, K.; Pople, J. A. J. Chem. Phys. 1990, 93, 2537-2545.
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 2537-2545
-
-
Curtiss, L.A.1
Jones, C.2
Trucks, G.W.3
Raghavachari, K.4
Pople, J.A.5
-
7
-
-
0041401966
-
-
Curtiss, L. A.; Raghavachari, K.; Trucks, G. W.; Pople, J. A. J. Chem. Phys. 1991, 94, 7221-7230.
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 7221-7230
-
-
Curtiss, L.A.1
Raghavachari, K.2
Trucks, G.W.3
Pople, J.A.4
-
10
-
-
36449007061
-
-
Petersson, G. A.; Tensfeldt, T. G.; Montgomery, J. A. J. J. Chem. Phys. 1991, 94, 6091-6101.
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 6091-6101
-
-
Petersson, G.A.1
Tensfeldt, T.G.2
Montgomery, J.A.J.3
-
11
-
-
0000215083
-
-
Montgomery, J. A. J.; Ochterski, J. W.; Petersson, G. A. J. Chem. Phys. 1994, 101, 5900-5909.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 5900-5909
-
-
Montgomery, J.A.J.1
Ochterski, J.W.2
Petersson, G.A.3
-
14
-
-
0021411798
-
-
von Niessen, W.; Schirmer, J.; Cederbaum, L. S. Comp. Phys. Rep. 1984, 1, 57-125.
-
(1984)
Comp. Phys. Rep.
, vol.1
, pp. 57-125
-
-
Von Niessen, W.1
Schirmer, J.2
Cederbaum, L.S.3
-
17
-
-
0002639848
-
-
Herman, M.; Freed, K.; Yeager, D. L. Adv. Chem. Phys. 1981, 48, 1-69.
-
(1981)
Adv. Chem. Phys.
, vol.48
, pp. 1-69
-
-
Herman, M.1
Freed, K.2
Yeager, D.L.3
-
22
-
-
84956614279
-
-
Patai, S., Rappoport, Z., Eds.; John Wiley & Sons: Chichester, U. R.
-
The Chemistry of the Quinonoid Compounds; Patai, S., Rappoport, Z., Eds.; John Wiley & Sons: Chichester, U. R., 1988; Vol. 2, Parts 1 & 2.
-
(1988)
The Chemistry of the Quinonoid Compounds
, vol.2
, Issue.1-2 PARTS
-
-
-
28
-
-
0000850554
-
-
Fox, M. A., Chanon, M., Eds.; Elsevier: Amsterdam
-
Connolly, J. S.; Bolton, J. R. In Photoinduced Electron Transfer, Fox, M. A., Chanon, M., Eds.; Elsevier: Amsterdam, 1988; Vol. D, pp 303ff.
-
(1988)
Photoinduced Electron Transfer
, vol.500
-
-
Connolly, J.S.1
Bolton, J.R.2
-
34
-
-
0003442182
-
-
Labanowski, J. K., Andzelm, J., Eds.; Springer-Verlag: New York
-
Density Functional Methods in Chemistry; Labanowski, J. K., Andzelm, J., Eds.; Springer-Verlag: New York, 1991.
-
(1991)
Density Functional Methods in Chemistry
-
-
-
38
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh
-
Frisch, M. J.; Trucks, G. W.; Head-Gordon, M; Gill, P. M. w.; Wong, M. W.; Foresman, J. B.; Johnson, B. G.; Schlegel, H. B.; Robb, M. A.; Replogle, S.; Gomperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S.; Gonzalez, C.; Martin, R. L.; Fox, D. J.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. GAUSSIAN92/DFT; Gaussian, Inc.: Pittsburgh, 1992.
-
(1992)
GAUSSIAN92/DFT
-
-
Frisch, M.J.1
Trucks, G.W.2
Head-Gordon, M.3
Gill, P.M.W.4
Wong, M.W.5
Foresman, J.B.6
Johnson, B.G.7
Schlegel, H.B.8
Robb, M.A.9
Replogle, S.10
Gomperts, R.11
Andres, J.L.12
Raghavachari, K.13
Binkley, J.S.14
Gonzalez, C.15
Martin, R.L.16
Fox, D.J.17
Defrees, D.J.18
Baker, J.19
Stewart, J.J.P.20
Pople, J.A.21
more..
-
39
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T. A.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B. Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W. Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L. Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. GAUSSIAN94 (Revision B.3); Gaussian, Inc.: Pittsburgh, 1995.
-
(1995)
GAUSSIAN94 (Revision B.3)
-
-
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.A.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
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
42
-
-
0000216001
-
-
Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200-1211.
-
(1980)
Can. J. Phys.
, vol.58
, pp. 1200-1211
-
-
Vosko, S.H.1
Wilk, L.2
Nusair, M.3
-
43
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785-789.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
50
-
-
4143095330
-
-
Kendall, R. A.; Dunning Jr., T. H.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6796-6806.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796-6806
-
-
Kendall, R.A.1
Dunning Jr., T.H.2
Harrison, R.J.3
-
54
-
-
16444375810
-
-
Johnson, B. G.; Gill, P. M. W.; Pople, J. A. J. Chem. Phys. 1993, 98, 5612-5626.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5612-5626
-
-
Johnson, B.G.1
Gill, P.M.W.2
Pople, J.A.3
-
56
-
-
0038269037
-
-
Ochterski, J. W.; Petersson, G. A.; Montgomery Jr., J. A. J. Chem. Phys. 1996, 104, 2598-2619.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 2598-2619
-
-
Ochterski, J.W.1
Petersson, G.A.2
Montgomery Jr., J.A.3
-
57
-
-
0000116375
-
-
Chowdhury, S.; Grimsrud, E. P.; Kebarle, P. J. Phys. Chem. 1986, 90, 2747-2752.
-
(1986)
J. Phys. Chem.
, vol.90
, pp. 2747-2752
-
-
Chowdhury, S.1
Grimsrud, E.P.2
Kebarle, P.3
-
58
-
-
0001575570
-
-
Heinis, T.; Chowdhury, S.; Scott, S. L.; Kebarle, P. J. Am. Chem. Soc. 1988, 770, 400-407.
-
(1988)
J. Am. Chem. Soc.
, vol.770
, pp. 400-407
-
-
Heinis, T.1
Chowdhury, S.2
Scott, S.L.3
Kebarle, P.4
-
67
-
-
0001642076
-
-
Cooper, C. D.; Naff, W. T.; Compton, R. N. J. Chem. Phys. 1975, 63, 2752-2757.
-
(1975)
J. Chem. Phys.
, vol.63
, pp. 2752-2757
-
-
Cooper, C.D.1
Naff, W.T.2
Compton, R.N.3
-
68
-
-
0001015383
-
-
Cooper, C. D.; Frey, W. F.; Compton, R. N. J. Chem. Phys. 1978, 69, 2367-2374.
-
(1978)
J. Chem. Phys.
, vol.69
, pp. 2367-2374
-
-
Cooper, C.D.1
Frey, W.F.2
Compton, R.N.3
-
69
-
-
0040811051
-
-
Davis, K. M. C.; Hammond, P. R.; Peover, M. E. J. Chem. Soc., Faraday Trans. 1965, 1516-1522.
-
(1965)
J. Chem. Soc., Faraday Trans.
, pp. 1516-1522
-
-
Davis, K.M.C.1
Hammond, P.R.2
Peover, M.E.3
-
73
-
-
0000076623
-
-
Schei, H.; Hagen, K.; Traetteberg, M. J. Mol. Struct. 1980, 62, 121-130.
-
(1980)
J. Mol. Struct.
, vol.62
, pp. 121-130
-
-
Schei, H.1
Hagen, K.2
Traetteberg, M.3
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