-
1
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; 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. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94, Revision D.4; Gaussian, Inc.: Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94, Revision D.4
-
-
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
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.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
2
-
-
84893169025
-
-
Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. H.; Koseki, S.; Matsunaga, N.; Nguyen, K. A.; Su, S. J.; Windus, T. L.; Dupuis, M.; Montgomery, J. A. J. Comput. Chem.; 1993, 14, 1347.
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1347
-
-
Schmidt, M.W.1
Baldridge, K.K.2
Boatz, J.A.3
Elbert, S.T.4
Gordon, M.S.5
Jensen, J.H.6
Koseki, S.7
Matsunaga, N.8
Nguyen, K.A.9
Su, S.J.10
Windus, T.L.11
Dupuis, M.12
Montgomery, J.A.13
-
6
-
-
3643099115
-
-
Hiberty, P. C.; Humbel, S.; Byrman, C. P.; Van Lenthe, J. H. J. Chem. Phys. 1994, 101, 5969.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 5969
-
-
Hiberty, P.C.1
Humbel, S.2
Byrman, C.P.3
Van Lenthe, J.H.4
-
7
-
-
0001410039
-
-
Bernardi, F., Olivucci, M.; Robb, M. A. J. Am. Chem. Soc. 1992, 114, 1606.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 1606
-
-
Bernardi, F.1
Olivucci, M.2
Robb, M.A.3
-
9
-
-
33846296873
-
-
Gerratt, J.; Cooper, D. L.; Karadakov, P. B.; Raimondi, M. Chem. Soc. Rev. 1997, 26, 87.
-
(1997)
Chem. Soc. Rev.
, vol.26
, pp. 87
-
-
Gerratt, J.1
Cooper, D.L.2
Karadakov, P.B.3
Raimondi, M.4
-
10
-
-
0001532592
-
-
Cooper, D. L.; Gerratt, J.; Raimondi, M. Nature 1986, 323, 699.
-
(1986)
Nature
, vol.323
, pp. 699
-
-
Cooper, D.L.1
Gerratt, J.2
Raimondi, M.3
-
12
-
-
37049084599
-
-
Cooper, D. L.; Wright, S. C.; Gerratt, J.; Hyams, P. A.; Raimondi, M. J. Chem. Soc., Perkin Trans. 2 1989, 719.
-
(1989)
J. Chem. Soc., Perkin Trans. 2
, pp. 719
-
-
Cooper, D.L.1
Wright, S.C.2
Gerratt, J.3
Hyams, P.A.4
Raimondi, M.5
-
13
-
-
37049081874
-
-
Sironi, M.; Cooper, D. L.; Raimondi, M.; Gerratt, J. J. Chem. Soc., Chem. Commun. 1989, 675.
-
(1989)
J. Chem. Soc., Chem. Commun.
, pp. 675
-
-
Sironi, M.1
Cooper, D.L.2
Raimondi, M.3
Gerratt, J.4
-
14
-
-
85005697406
-
-
Karadakov, P. B.; Gerratt, J.; Raos, G.; Cooper, D. L.; Raimondi, M. Isr. J. Chem. 1993, 33, 253.
-
(1993)
Isr. J. Chem.
, vol.33
, pp. 253
-
-
Karadakov, P.B.1
Gerratt, J.2
Raos, G.3
Cooper, D.L.4
Raimondi, M.5
-
15
-
-
0000996344
-
-
Karadakov, P. B.; Gerratt, J.; Cooper, D. L.; Raimondi, M.; Sironi, M. Int. J. Quantum Chem. 1996, 60, 545.
-
(1996)
Int. J. Quantum Chem.
, vol.60
, pp. 545
-
-
Karadakov, P.B.1
Gerratt, J.2
Cooper, D.L.3
Raimondi, M.4
Sironi, M.5
-
16
-
-
2642617420
-
-
Karadakov, P. B.; Ellis, M.; Gerratt, J.; Cooper, D. L.; Raimondi, M. Int. J. Quantum Chem. 1997, 63, 441.
-
(1997)
Int. J. Quantum Chem.
, vol.63
, pp. 441
-
-
Karadakov, P.B.1
Ellis, M.2
Gerratt, J.3
Cooper, D.L.4
Raimondi, M.5
-
17
-
-
0001420661
-
-
Wright, S. C.; Cooper, D. L.; Gerratt, J.; Raimondi, M. J. Phys. Chem. 1992, 96, 7943.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 7943
-
-
Wright, S.C.1
Cooper, D.L.2
Gerratt, J.3
Raimondi, M.4
-
18
-
-
0000082167
-
-
Karadakov, P. B.; Gerratt, J.; Cooper, D. L.; Raimondi, M. J. Phys. Chem. 1995, 99, 10186.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 10186
-
-
Karadakov, P.B.1
Gerratt, J.2
Cooper, D.L.3
Raimondi, M.4
-
19
-
-
0001373143
-
-
Borden, W. T.; Loncharich, R. J.; Houk, K. N. Annu. Rev. Phys. Chem. 1988, 39, 213.
-
(1988)
Annu. Rev. Phys. Chem.
, vol.39
, pp. 213
-
-
Borden, W.T.1
Loncharich, R.J.2
Houk, K.N.3
-
21
-
-
37049073683
-
-
Houk, K. N.; Li, Y.; Storer, J.; Raimondi, L.; Beno, B. J. Chem. Soc., Faraday Symp. 1994, 90, 1599.
-
(1994)
J. Chem. Soc., Faraday Symp.
, vol.90
, pp. 1599
-
-
Houk, K.N.1
Li, Y.2
Storer, J.3
Raimondi, L.4
Beno, B.5
-
23
-
-
0001360185
-
-
Hrovat, D. A.; Morokuma, K.; Borden, W. T. J. Am. Chem. Soc. 1994, 116, 1072.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 1072
-
-
Hrovat, D.A.1
Morokuma, K.2
Borden, W.T.3
-
24
-
-
0001320706
-
-
Kozlowski, P. M.; Dupuis, M.; Davidson, E. R. J. Am. Chem. Soc. 1995, 117, 774.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 774
-
-
Kozlowski, P.M.1
Dupuis, M.2
Davidson, E.R.3
-
25
-
-
2642673242
-
-
Karadakov, P. B.; Gerratt, J.; Cooper, D. L.; Raimondi, M. J. Chem. Soc., Faraday Symp. 1994, 90, 1643.
-
(1994)
J. Chem. Soc., Faraday Symp.
, vol.90
, pp. 1643
-
-
Karadakov, P.B.1
Gerratt, J.2
Cooper, D.L.3
Raimondi, M.4
-
26
-
-
37049099349
-
-
Bernardi, F.; Botoni, A.; Robb, M. A.; Field, M. J.; Hillier, I. H.; Guest, M. F. J. Chem. Soc., Chem. Commun. 1985, 1051.
-
(1985)
J. Chem. Soc., Chem. Commun.
, pp. 1051
-
-
Bernardi, F.1
Botoni, A.2
Robb, M.A.3
Field, M.J.4
Hillier, I.H.5
Guest, M.F.6
-
27
-
-
33845280050
-
-
Bernardi, F.; Botoni, A.; Field, M. J.; Guest, M. F.; Hillier, I. H.; Robb, M. A.; Venturini, A. J. Am. Chem. Soc. 1988, 110, 3050.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 3050
-
-
Bernardi, F.1
Botoni, A.2
Field, M.J.3
Guest, M.F.4
Hillier, I.H.5
Robb, M.A.6
Venturini, A.7
-
28
-
-
0011959226
-
-
Handy, N. C.; Knowles, P. J.; Somasundran, K. Theor. Chim. Acta 1985, 68, 87.
-
(1985)
Theor. Chim. Acta
, vol.68
, pp. 87
-
-
Handy, N.C.1
Knowles, P.J.2
Somasundran, K.3
-
29
-
-
0000669367
-
-
Gerratt, J.; Raimondi, M. Proc. R. Soc. London, Ser. A 1980, 371, 525.
-
(1980)
Proc. R. Soc. London, Ser. A
, vol.371
, pp. 525
-
-
Gerratt, J.1
Raimondi, M.2
-
30
-
-
0001483170
-
-
Da Silva, E. C.; Gerratt, J.; Cooper, D. L.; Raimondi, M. J. Chem. Phys. 1994, 101, 3866.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 3866
-
-
Da Silva, E.C.1
Gerratt, J.2
Cooper, D.L.3
Raimondi, M.4
-
34
-
-
0002646601
-
-
Daudel, R., Pullman, B., Eds.; D. Reidel: Dordrecht, The Netherlands
-
Fukui, K. In The World of Quantum Chemistry. Proceedings of the First International Congress of Quantum Chemistry, Menton, 1973; Daudel, R., Pullman, B., Eds.; D. Reidel: Dordrecht, The Netherlands, 1974; p 113.
-
(1974)
The World of Quantum Chemistry. Proceedings of the First International Congress of Quantum Chemistry, Menton, 1973
, pp. 113
-
-
Fukui, K.1
-
37
-
-
0000521928
-
-
Thorsteinsson, T.; Cooper, D. L.; Gerratt, J.; Karadakov, P. B.; Raimondi, M. Theor. Chim. Acta 1996, 93, 343.
-
(1996)
Theor. Chim. Acta
, vol.93
, pp. 343
-
-
Thorsteinsson, T.1
Cooper, D.L.2
Gerratt, J.3
Karadakov, P.B.4
Raimondi, M.5
-
39
-
-
0003394271
-
-
Werner, H.-J.; Knowles, P. J., with contributions from Amos, R. D.; Berning, A.; Cooper, D. L.; Deegan, M. J. O.; Dobbyn, A. J.; Eckert, F.; Hampel, C.; Leininger, T.; Lindh, R.; Lloyd, A. W.; Meyer, W.; Mura, M. E.; Nickla, A.; Palmieri, P.; Peterson, K.; Pitzer, R.; Pulay, P.; Rauhut, G.; Schütz, M.; Stoll, H.; Stone, A. J.; Thorsteinsson, T. MOLPRO (A Package of Ab Initio Programs).
-
MOLPRO (a Package of Ab Initio Programs)
-
-
Werner, H.-J.1
Knowles, P.J.2
Amos, R.D.3
Berning, A.4
Cooper, D.L.5
Deegan, M.J.O.6
Dobbyn, A.J.7
Eckert, F.8
Hampel, C.9
Leininger, T.10
Lindh, R.11
Lloyd, A.W.12
Meyer, W.13
Mura, M.E.14
Nickla, A.15
Palmieri, P.16
Peterson, K.17
Pitzer, R.18
Pulay, P.19
Rauhut, G.20
Schütz, M.21
Stoll, H.22
Stone, A.J.23
Thorsteinsson, T.24
more..
-
40
-
-
0001196734
-
-
Karadakov, P. B.; Gerratt, J.; Cooper, D. L.; Raimondi, M. J. Chem. Phys. 1992, 97, 7637.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 7637
-
-
Karadakov, P.B.1
Gerratt, J.2
Cooper, D.L.3
Raimondi, M.4
-
42
-
-
0003135522
-
-
Karadakov, P. B.; Gerratt, J.; Cooper, D. L.; Raimondi, M. Theor. Chim. Acta 1995, 90, 51.
-
(1995)
Theor. Chim. Acta
, vol.90
, pp. 51
-
-
Karadakov, P.B.1
Gerratt, J.2
Cooper, D.L.3
Raimondi, M.4
-
43
-
-
2642646674
-
-
Friis-Jensen, B.; Cooper, D. L.; Rettrup, S. Theor. Chim. Acta 1998, 99, 8.
-
(1998)
Theor. Chim. Acta
, vol.99
, pp. 8
-
-
Friis-Jensen, B.1
Cooper, D.L.2
Rettrup, S.3
-
44
-
-
0040007335
-
-
Friis-Jensen, B.; Cooper, D. L.; Rettrup, S. J. Math. Chem. 1997, 22, 249.
-
(1997)
J. Math. Chem.
, vol.22
, pp. 249
-
-
Friis-Jensen, B.1
Cooper, D.L.2
Rettrup, S.3
-
45
-
-
0001630572
-
-
Chirgwin, B. H.; Coulson, C. A. Proc. R. Soc. London, Ser. A 1950, 201, 196.
-
(1950)
Proc. R. Soc. London, Ser. A
, vol.201
, pp. 196
-
-
Chirgwin, B.H.1
Coulson, C.A.2
-
48
-
-
0344208044
-
-
Karadakov, P. B.; Gerratt, J.; Cooper, D. L.; Raimondi. M. J. Am. Chem. Soc. 1993, 115, 6863.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 6863
-
-
Karadakov, P.B.1
Gerratt, J.2
Cooper, D.L.3
Raimondi, M.4
-
50
-
-
0000169077
-
-
Jiao, H.; Schleyer, P. v. R. J. Chem. Soc., Faraday Symp. 1994, 90, 1559.
-
(1994)
J. Chem. Soc., Faraday Symp.
, vol.90
, pp. 1559
-
-
Jiao, H.1
Schleyer, P.V.R.2
|