-
1
-
-
0010426766
-
-
For the preparation, handling, and reactions of ketene, see: Andreades, S.; Carlson, H. H. Org. Synt. Col. Vol. 1973, 5, 679.
-
(1973)
Org. Synt. Col. Vol.
, vol.5
, pp. 679
-
-
Andreades, S.1
Carlson, H.H.2
-
2
-
-
0005712041
-
-
Torres, M.; Lown, E. M.; Gunning, H. E.; Strausz, O. P. Pure Appl. Chem. 1980, 52, 1623. Meier, H.; Zeller, K. Angew. Chem., Int. Ed. Engl. 1975, 14, 32. Dykstra, C. E. Annu. Rev. Phys. Chem. 1981, 32, 25 and references therein
-
(1980)
Pure Appl. Chem.
, vol.52
, pp. 1623
-
-
Torres, M.1
Lown, E.M.2
Gunning, H.E.3
Strausz, O.P.4
-
3
-
-
84982385017
-
-
Torres, M.; Lown, E. M.; Gunning, H. E.; Strausz, O. P. Pure Appl. Chem. 1980, 52, 1623. Meier, H.; Zeller, K. Angew. Chem., Int. Ed. Engl. 1975, 14, 32. Dykstra, C. E. Annu. Rev. Phys. Chem. 1981, 32, 25 and references therein
-
(1975)
Angew. Chem., Int. Ed. Engl.
, vol.14
, pp. 32
-
-
Meier, H.1
Zeller, K.2
-
4
-
-
0005712041
-
-
and references therein
-
Torres, M.; Lown, E. M.; Gunning, H. E.; Strausz, O. P. Pure Appl. Chem. 1980, 52, 1623. Meier, H.; Zeller, K. Angew. Chem., Int. Ed. Engl. 1975, 14, 32. Dykstra, C. E. Annu. Rev. Phys. Chem. 1981, 32, 25 and references therein
-
(1981)
Annu. Rev. Phys. Chem.
, vol.32
, pp. 25
-
-
Dykstra, C.E.1
-
5
-
-
0002879595
-
-
For instance, see: Germann,T.; Miller, W. H. J. Chem. Phys. 1998, 109, 94. Lovejy, E. R.; Moore, B. J. Chem. Phys. 1993, 98, 7846. Russell, R.; Rowland, F. S. J. Am. Chem. Soc. 1970, 92, 7510 and references therein.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 94
-
-
Germann, T.1
Miller, W.H.2
-
6
-
-
0002879595
-
-
For instance, see: Germann,T.; Miller, W. H. J. Chem. Phys. 1998, 109, 94. Lovejy, E. R.; Moore, B. J. Chem. Phys. 1993, 98, 7846. Russell, R.; Rowland, F. S. J. Am. Chem. Soc. 1970, 92, 7510 and references therein.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 7846
-
-
Lovejy, E.R.1
Moore, B.2
-
7
-
-
0002879595
-
-
and references therein
-
For instance, see: Germann,T.; Miller, W. H. J. Chem. Phys. 1998, 109, 94. Lovejy, E. R.; Moore, B. J. Chem. Phys. 1993, 98, 7846. Russell, R.; Rowland, F. S. J. Am. Chem. Soc. 1970, 92, 7510 and references therein.
-
(1970)
J. Am. Chem. Soc.
, vol.92
, pp. 7510
-
-
Russell, R.1
Rowland, F.S.2
-
8
-
-
0001596218
-
-
and references therein
-
For acetylene-vinylidene rearrangement, see: Chang, N.-Y.; Shen, M.-Y.; Yu, C.-H. J. Chem. Phys. 1997, 106, 3237 and references therein. Gallo, M. M.; Hamilton, T. P.; Schaefer, H. F. J. Am. Chem. Soc. 1990, 112, 8714. Petersson, G. A.; Tensfeld, T. G.; Montgomery, J. J. Am. Chem. Soc. 1992, 114, 6133. Vacek, G.; Sherrill, C. D.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1996, 104, 1774. Sherrill, C. D.; Vacek, G.; Yamaguchi, Y.; Schaefer, H. F.; Stanton, J. F.; Gauss, J. J. Chem. Phys. 1996, 104, 8507. Yamaguchi, Y.; Vacek, G.; Thomas, J. R.; DeLeeuw, B. J.; Schaefer, H. F. J. Chem. Phys. 1994, 100, 4969. Vacek, G.; Thomas, J. R.; DeLeeuw, B. J.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1993, 98, 4766. Lundberg, J. K.; Field, R. W.; Sherrill, C. D.; Seidl, E. T.; Xie, Y.; Schaefer, H. F. J. Chem. Phys. 1993, 98, 8384. Lischka, H.; Karpfen, A. Chem. Phys. 1986, 702, 77. Harding, L. B. J. Am. Chem. Soc. 1981, 103, 7469. Demoulin, D. Chem. Phys. 1975, 11, 329. Jursic, B. S. J. Mol. Struct. (THEOCHEM), in press.
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 3237
-
-
Chang, N.-Y.1
Shen, M.-Y.2
Yu, C.-H.3
-
9
-
-
0001043947
-
-
For acetylene-vinylidene rearrangement, see: Chang, N.-Y.; Shen, M.-Y.; Yu, C.-H. J. Chem. Phys. 1997, 106, 3237 and references therein. Gallo, M. M.; Hamilton, T. P.; Schaefer, H. F. J. Am. Chem. Soc. 1990, 112, 8714. Petersson, G. A.; Tensfeld, T. G.; Montgomery, J. J. Am. Chem. Soc. 1992, 114, 6133. Vacek, G.; Sherrill, C. D.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1996, 104, 1774. Sherrill, C. D.; Vacek, G.; Yamaguchi, Y.; Schaefer, H. F.; Stanton, J. F.; Gauss, J. J. Chem. Phys. 1996, 104, 8507. Yamaguchi, Y.; Vacek, G.; Thomas, J. R.; DeLeeuw, B. J.; Schaefer, H. F. J. Chem. Phys. 1994, 100, 4969. Vacek, G.; Thomas, J. R.; DeLeeuw, B. J.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1993, 98, 4766. Lundberg, J. K.; Field, R. W.; Sherrill, C. D.; Seidl, E. T.; Xie, Y.; Schaefer, H. F. J. Chem. Phys. 1993, 98, 8384. Lischka, H.; Karpfen, A. Chem. Phys. 1986, 702, 77. Harding, L. B. J. Am. Chem. Soc. 1981, 103, 7469. Demoulin, D. Chem. Phys. 1975, 11, 329. Jursic, B. S. J. Mol. Struct. (THEOCHEM), in press.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 8714
-
-
Gallo, M.M.1
Hamilton, T.P.2
Schaefer, H.F.3
-
10
-
-
0000517236
-
-
For acetylene-vinylidene rearrangement, see: Chang, N.-Y.; Shen, M.-Y.; Yu, C.-H. J. Chem. Phys. 1997, 106, 3237 and references therein. Gallo, M. M.; Hamilton, T. P.; Schaefer, H. F. J. Am. Chem. Soc. 1990, 112, 8714. Petersson, G. A.; Tensfeld, T. G.; Montgomery, J. J. Am. Chem. Soc. 1992, 114, 6133. Vacek, G.; Sherrill, C. D.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1996, 104, 1774. Sherrill, C. D.; Vacek, G.; Yamaguchi, Y.; Schaefer, H. F.; Stanton, J. F.; Gauss, J. J. Chem. Phys. 1996, 104, 8507. Yamaguchi, Y.; Vacek, G.; Thomas, J. R.; DeLeeuw, B. J.; Schaefer, H. F. J. Chem. Phys. 1994, 100, 4969. Vacek, G.; Thomas, J. R.; DeLeeuw, B. J.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1993, 98, 4766. Lundberg, J. K.; Field, R. W.; Sherrill, C. D.; Seidl, E. T.; Xie, Y.; Schaefer, H. F. J. Chem. Phys. 1993, 98, 8384. Lischka, H.; Karpfen, A. Chem. Phys. 1986, 702, 77. Harding, L. B. J. Am. Chem. Soc. 1981, 103, 7469. Demoulin, D. Chem. Phys. 1975, 11, 329. Jursic, B. S. J. Mol. Struct. (THEOCHEM), in press.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 6133
-
-
Petersson, G.A.1
Tensfeld, T.G.2
Montgomery, J.3
-
11
-
-
0001290694
-
-
For acetylene-vinylidene rearrangement, see: Chang, N.-Y.; Shen, M.-Y.; Yu, C.-H. J. Chem. Phys. 1997, 106, 3237 and references therein. Gallo, M. M.; Hamilton, T. P.; Schaefer, H. F. J. Am. Chem. Soc. 1990, 112, 8714. Petersson, G. A.; Tensfeld, T. G.; Montgomery, J. J. Am. Chem. Soc. 1992, 114, 6133. Vacek, G.; Sherrill, C. D.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1996, 104, 1774. Sherrill, C. D.; Vacek, G.; Yamaguchi, Y.; Schaefer, H. F.; Stanton, J. F.; Gauss, J. J. Chem. Phys. 1996, 104, 8507. Yamaguchi, Y.; Vacek, G.; Thomas, J. R.; DeLeeuw, B. J.; Schaefer, H. F. J. Chem. Phys. 1994, 100, 4969. Vacek, G.; Thomas, J. R.; DeLeeuw, B. J.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1993, 98, 4766. Lundberg, J. K.; Field, R. W.; Sherrill, C. D.; Seidl, E. T.; Xie, Y.; Schaefer, H. F. J. Chem. Phys. 1993, 98, 8384. Lischka, H.; Karpfen, A. Chem. Phys. 1986, 702, 77. Harding, L. B. J. Am. Chem. Soc. 1981, 103, 7469. Demoulin, D. Chem. Phys. 1975, 11, 329. Jursic, B. S. J. Mol. Struct. (THEOCHEM), in press.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 1774
-
-
Vacek, G.1
Sherrill, C.D.2
Yamaguchi, Y.3
Schaefer, H.F.4
-
12
-
-
0000813118
-
-
For acetylene-vinylidene rearrangement, see: Chang, N.-Y.; Shen, M.-Y.; Yu, C.-H. J. Chem. Phys. 1997, 106, 3237 and references therein. Gallo, M. M.; Hamilton, T. P.; Schaefer, H. F. J. Am. Chem. Soc. 1990, 112, 8714. Petersson, G. A.; Tensfeld, T. G.; Montgomery, J. J. Am. Chem. Soc. 1992, 114, 6133. Vacek, G.; Sherrill, C. D.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1996, 104, 1774. Sherrill, C. D.; Vacek, G.; Yamaguchi, Y.; Schaefer, H. F.; Stanton, J. F.; Gauss, J. J. Chem. Phys. 1996, 104, 8507. Yamaguchi, Y.; Vacek, G.; Thomas, J. R.; DeLeeuw, B. J.; Schaefer, H. F. J. Chem. Phys. 1994, 100, 4969. Vacek, G.; Thomas, J. R.; DeLeeuw, B. J.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1993, 98, 4766. Lundberg, J. K.; Field, R. W.; Sherrill, C. D.; Seidl, E. T.; Xie, Y.; Schaefer, H. F. J. Chem. Phys. 1993, 98, 8384. Lischka, H.; Karpfen, A. Chem. Phys. 1986, 702, 77. Harding, L. B. J. Am. Chem. Soc. 1981, 103, 7469. Demoulin, D. Chem. Phys. 1975, 11, 329. Jursic, B. S. J. Mol. Struct. (THEOCHEM), in press.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 8507
-
-
Sherrill, C.D.1
Vacek, G.2
Yamaguchi, Y.3
Schaefer, H.F.4
Stanton, J.F.5
Gauss, J.6
-
13
-
-
0010832235
-
-
For acetylene-vinylidene rearrangement, see: Chang, N.-Y.; Shen, M.-Y.; Yu, C.-H. J. Chem. Phys. 1997, 106, 3237 and references therein. Gallo, M. M.; Hamilton, T. P.; Schaefer, H. F. J. Am. Chem. Soc. 1990, 112, 8714. Petersson, G. A.; Tensfeld, T. G.; Montgomery, J. J. Am. Chem. Soc. 1992, 114, 6133. Vacek, G.; Sherrill, C. D.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1996, 104, 1774. Sherrill, C. D.; Vacek, G.; Yamaguchi, Y.; Schaefer, H. F.; Stanton, J. F.; Gauss, J. J. Chem. Phys. 1996, 104, 8507. Yamaguchi, Y.; Vacek, G.; Thomas, J. R.; DeLeeuw, B. J.; Schaefer, H. F. J. Chem. Phys. 1994, 100, 4969. Vacek, G.; Thomas, J. R.; DeLeeuw, B. J.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1993, 98, 4766. Lundberg, J. K.; Field, R. W.; Sherrill, C. D.; Seidl, E. T.; Xie, Y.; Schaefer, H. F. J. Chem. Phys. 1993, 98, 8384. Lischka, H.; Karpfen, A. Chem. Phys. 1986, 702, 77. Harding, L. B. J. Am. Chem. Soc. 1981, 103, 7469. Demoulin, D. Chem. Phys. 1975, 11, 329. Jursic, B. S. J. Mol. Struct. (THEOCHEM), in press.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 4969
-
-
Yamaguchi, Y.1
Vacek, G.2
Thomas, J.R.3
Deleeuw, B.J.4
Schaefer, H.F.5
-
14
-
-
0037522669
-
-
For acetylene-vinylidene rearrangement, see: Chang, N.-Y.; Shen, M.-Y.; Yu, C.-H. J. Chem. Phys. 1997, 106, 3237 and references therein. Gallo, M. M.; Hamilton, T. P.; Schaefer, H. F. J. Am. Chem. Soc. 1990, 112, 8714. Petersson, G. A.; Tensfeld, T. G.; Montgomery, J. J. Am. Chem. Soc. 1992, 114, 6133. Vacek, G.; Sherrill, C. D.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1996, 104, 1774. Sherrill, C. D.; Vacek, G.; Yamaguchi, Y.; Schaefer, H. F.; Stanton, J. F.; Gauss, J. J. Chem. Phys. 1996, 104, 8507. Yamaguchi, Y.; Vacek, G.; Thomas, J. R.; DeLeeuw, B. J.; Schaefer, H. F. J. Chem. Phys. 1994, 100, 4969. Vacek, G.; Thomas, J. R.; DeLeeuw, B. J.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1993, 98, 4766. Lundberg, J. K.; Field, R. W.; Sherrill, C. D.; Seidl, E. T.; Xie, Y.; Schaefer, H. F. J. Chem. Phys. 1993, 98, 8384. Lischka, H.; Karpfen, A. Chem. Phys. 1986, 702, 77. Harding, L. B. J. Am. Chem. Soc. 1981, 103, 7469. Demoulin, D. Chem. Phys. 1975, 11, 329. Jursic, B. S. J. Mol. Struct. (THEOCHEM), in press.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 4766
-
-
Vacek, G.1
Thomas, J.R.2
DeLeeuw, B.J.3
Yamaguchi, Y.4
Schaefer, H.F.5
-
15
-
-
0000760241
-
-
For acetylene-vinylidene rearrangement, see: Chang, N.-Y.; Shen, M.-Y.; Yu, C.-H. J. Chem. Phys. 1997, 106, 3237 and references therein. Gallo, M. M.; Hamilton, T. P.; Schaefer, H. F. J. Am. Chem. Soc. 1990, 112, 8714. Petersson, G. A.; Tensfeld, T. G.; Montgomery, J. J. Am. Chem. Soc. 1992, 114, 6133. Vacek, G.; Sherrill, C. D.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1996, 104, 1774. Sherrill, C. D.; Vacek, G.; Yamaguchi, Y.; Schaefer, H. F.; Stanton, J. F.; Gauss, J. J. Chem. Phys. 1996, 104, 8507. Yamaguchi, Y.; Vacek, G.; Thomas, J. R.; DeLeeuw, B. J.; Schaefer, H. F. J. Chem. Phys. 1994, 100, 4969. Vacek, G.; Thomas, J. R.; DeLeeuw, B. J.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1993, 98, 4766. Lundberg, J. K.; Field, R. W.; Sherrill, C. D.; Seidl, E. T.; Xie, Y.; Schaefer, H. F. J. Chem. Phys. 1993, 98, 8384. Lischka, H.; Karpfen, A. Chem. Phys. 1986, 702, 77. Harding, L. B. J. Am. Chem. Soc. 1981, 103, 7469. Demoulin, D. Chem. Phys. 1975, 11, 329. Jursic, B. S. J. Mol. Struct. (THEOCHEM), in press.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 8384
-
-
Lundberg, J.K.1
Field, R.W.2
Sherrill, C.D.3
Seidl, E.T.4
Xie, Y.5
Schaefer, H.F.6
-
16
-
-
0002797261
-
-
For acetylene-vinylidene rearrangement, see: Chang, N.-Y.; Shen, M.-Y.; Yu, C.-H. J. Chem. Phys. 1997, 106, 3237 and references therein. Gallo, M. M.; Hamilton, T. P.; Schaefer, H. F. J. Am. Chem. Soc. 1990, 112, 8714. Petersson, G. A.; Tensfeld, T. G.; Montgomery, J. J. Am. Chem. Soc. 1992, 114, 6133. Vacek, G.; Sherrill, C. D.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1996, 104, 1774. Sherrill, C. D.; Vacek, G.; Yamaguchi, Y.; Schaefer, H. F.; Stanton, J. F.; Gauss, J. J. Chem. Phys. 1996, 104, 8507. Yamaguchi, Y.; Vacek, G.; Thomas, J. R.; DeLeeuw, B. J.; Schaefer, H. F. J. Chem. Phys. 1994, 100, 4969. Vacek, G.; Thomas, J. R.; DeLeeuw, B. J.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1993, 98, 4766. Lundberg, J. K.; Field, R. W.; Sherrill, C. D.; Seidl, E. T.; Xie, Y.; Schaefer, H. F. J. Chem. Phys. 1993, 98, 8384. Lischka, H.; Karpfen, A. Chem. Phys. 1986, 702, 77. Harding, L. B. J. Am. Chem. Soc. 1981, 103, 7469. Demoulin, D. Chem. Phys. 1975, 11, 329. Jursic, B. S. J. Mol. Struct. (THEOCHEM), in press.
-
(1986)
Chem. Phys.
, vol.702
, pp. 77
-
-
Lischka, H.1
Karpfen, A.2
-
17
-
-
0000139533
-
-
For acetylene-vinylidene rearrangement, see: Chang, N.-Y.; Shen, M.-Y.; Yu, C.-H. J. Chem. Phys. 1997, 106, 3237 and references therein. Gallo, M. M.; Hamilton, T. P.; Schaefer, H. F. J. Am. Chem. Soc. 1990, 112, 8714. Petersson, G. A.; Tensfeld, T. G.; Montgomery, J. J. Am. Chem. Soc. 1992, 114, 6133. Vacek, G.; Sherrill, C. D.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1996, 104, 1774. Sherrill, C. D.; Vacek, G.; Yamaguchi, Y.; Schaefer, H. F.; Stanton, J. F.; Gauss, J. J. Chem. Phys. 1996, 104, 8507. Yamaguchi, Y.; Vacek, G.; Thomas, J. R.; DeLeeuw, B. J.; Schaefer, H. F. J. Chem. Phys. 1994, 100, 4969. Vacek, G.; Thomas, J. R.; DeLeeuw, B. J.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1993, 98, 4766. Lundberg, J. K.; Field, R. W.; Sherrill, C. D.; Seidl, E. T.; Xie, Y.; Schaefer, H. F. J. Chem. Phys. 1993, 98, 8384. Lischka, H.; Karpfen, A. Chem. Phys. 1986, 702, 77. Harding, L. B. J. Am. Chem. Soc. 1981, 103, 7469. Demoulin, D. Chem. Phys. 1975, 11, 329. Jursic, B. S. J. Mol. Struct. (THEOCHEM), in press.
-
(1981)
J. Am. Chem. Soc.
, vol.103
, pp. 7469
-
-
Harding, L.B.1
-
18
-
-
0001626891
-
-
For acetylene-vinylidene rearrangement, see: Chang, N.-Y.; Shen, M.-Y.; Yu, C.-H. J. Chem. Phys. 1997, 106, 3237 and references therein. Gallo, M. M.; Hamilton, T. P.; Schaefer, H. F. J. Am. Chem. Soc. 1990, 112, 8714. Petersson, G. A.; Tensfeld, T. G.; Montgomery, J. J. Am. Chem. Soc. 1992, 114, 6133. Vacek, G.; Sherrill, C. D.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1996, 104, 1774. Sherrill, C. D.; Vacek, G.; Yamaguchi, Y.; Schaefer, H. F.; Stanton, J. F.; Gauss, J. J. Chem. Phys. 1996, 104, 8507. Yamaguchi, Y.; Vacek, G.; Thomas, J. R.; DeLeeuw, B. J.; Schaefer, H. F. J. Chem. Phys. 1994, 100, 4969. Vacek, G.; Thomas, J. R.; DeLeeuw, B. J.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1993, 98, 4766. Lundberg, J. K.; Field, R. W.; Sherrill, C. D.; Seidl, E. T.; Xie, Y.; Schaefer, H. F. J. Chem. Phys. 1993, 98, 8384. Lischka, H.; Karpfen, A. Chem. Phys. 1986, 702, 77. Harding, L. B. J. Am. Chem. Soc. 1981, 103, 7469. Demoulin, D. Chem. Phys. 1975, 11, 329. Jursic, B. S. J. Mol. Struct. (THEOCHEM), in press.
-
(1975)
Chem. Phys.
, vol.11
, pp. 329
-
-
Demoulin, D.1
-
19
-
-
85034152665
-
-
in press
-
For acetylene-vinylidene rearrangement, see: Chang, N.-Y.; Shen, M.-Y.; Yu, C.-H. J. Chem. Phys. 1997, 106, 3237 and references therein. Gallo, M. M.; Hamilton, T. P.; Schaefer, H. F. J. Am. Chem. Soc. 1990, 112, 8714. Petersson, G. A.; Tensfeld, T. G.; Montgomery, J. J. Am. Chem. Soc. 1992, 114, 6133. Vacek, G.; Sherrill, C. D.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1996, 104, 1774. Sherrill, C. D.; Vacek, G.; Yamaguchi, Y.; Schaefer, H. F.; Stanton, J. F.; Gauss, J. J. Chem. Phys. 1996, 104, 8507. Yamaguchi, Y.; Vacek, G.; Thomas, J. R.; DeLeeuw, B. J.; Schaefer, H. F. J. Chem. Phys. 1994, 100, 4969. Vacek, G.; Thomas, J. R.; DeLeeuw, B. J.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1993, 98, 4766. Lundberg, J. K.; Field, R. W.; Sherrill, C. D.; Seidl, E. T.; Xie, Y.; Schaefer, H. F. J. Chem. Phys. 1993, 98, 8384. Lischka, H.; Karpfen, A. Chem. Phys. 1986, 702, 77. Harding, L. B. J. Am. Chem. Soc. 1981, 103, 7469. Demoulin, D. Chem. Phys. 1975, 11, 329. Jursic, B. S. J. Mol. Struct. (THEOCHEM), in press.
-
J. Mol. Struct. (THEOCHEM)
-
-
Jursic, B.S.1
-
20
-
-
0000600249
-
-
Bouman, W. J.; Nobes, R. H.; Radom, L. R.; Woodward, C. E. J. Org. Chem. 1982, 47, 1869. Radom, L.; Hehre, W. J.; Pople, J. A. J. Am. Chem. Soc. 1971, 93, 289. Dewar, M. J. S.; Ramsden, C. A. J. Chem. Soc., Chem. Commun. 1973, 688. Lathan, W. A.; Radom, L.; Hariharan, P. C.; Hehre, W. J.; Pople, J. A. Top. Curr. Chem. 1973, 40, 1. Csizmadia, I. G.; Gunning, H. E.; Gosavi, R. K.; Strausz, O. P. J. Am. Chem. Soc. 1973, 95, 133. Strausz, O. P.; Gosavi, R. K.; Denes, A. S.; Csizmadia, I. G. J. Am. Chem. Soc. 1976, 98, 4784. Hopkinson, A. C.; Lien, M.; Yates, K.; Csizmadia, I. G. Prog. Theor. Org. Chem. 1977, 2, 230. Dykstra, C. E. J. Chem. Phys. 1978, 68, 4244. Torres, M.; Lown, R. M.; Gunning, H. E.; Strausz, O. P. Pure Appl. Chem. 1980, 52, 1623.
-
(1982)
J. Org. Chem.
, vol.47
, pp. 1869
-
-
Bouman, W.J.1
Nobes, R.H.2
Radom, L.R.3
Woodward, C.E.4
-
21
-
-
0000587201
-
-
Bouman, W. J.; Nobes, R. H.; Radom, L. R.; Woodward, C. E. J. Org. Chem. 1982, 47, 1869. Radom, L.; Hehre, W. J.; Pople, J. A. J. Am. Chem. Soc. 1971, 93, 289. Dewar, M. J. S.; Ramsden, C. A. J. Chem. Soc., Chem. Commun. 1973, 688. Lathan, W. A.; Radom, L.; Hariharan, P. C.; Hehre, W. J.; Pople, J. A. Top. Curr. Chem. 1973, 40, 1. Csizmadia, I. G.; Gunning, H. E.; Gosavi, R. K.; Strausz, O. P. J. Am. Chem. Soc. 1973, 95, 133. Strausz, O. P.; Gosavi, R. K.; Denes, A. S.; Csizmadia, I. G. J. Am. Chem. Soc. 1976, 98, 4784. Hopkinson, A. C.; Lien, M.; Yates, K.; Csizmadia, I. G. Prog. Theor. Org. Chem. 1977, 2, 230. Dykstra, C. E. J. Chem. Phys. 1978, 68, 4244. Torres, M.; Lown, R. M.; Gunning, H. E.; Strausz, O. P. Pure Appl. Chem. 1980, 52, 1623.
-
(1971)
J. Am. Chem. Soc.
, vol.93
, pp. 289
-
-
Radom, L.1
Hehre, W.J.2
Pople, J.A.3
-
22
-
-
37049127828
-
-
Bouman, W. J.; Nobes, R. H.; Radom, L. R.; Woodward, C. E. J. Org. Chem. 1982, 47, 1869. Radom, L.; Hehre, W. J.; Pople, J. A. J. Am. Chem. Soc. 1971, 93, 289. Dewar, M. J. S.; Ramsden, C. A. J. Chem. Soc., Chem. Commun. 1973, 688. Lathan, W. A.; Radom, L.; Hariharan, P. C.; Hehre, W. J.; Pople, J. A. Top. Curr. Chem. 1973, 40, 1. Csizmadia, I. G.; Gunning, H. E.; Gosavi, R. K.; Strausz, O. P. J. Am. Chem. Soc. 1973, 95, 133. Strausz, O. P.; Gosavi, R. K.; Denes, A. S.; Csizmadia, I. G. J. Am. Chem. Soc. 1976, 98, 4784. Hopkinson, A. C.; Lien, M.; Yates, K.; Csizmadia, I. G. Prog. Theor. Org. Chem. 1977, 2, 230. Dykstra, C. E. J. Chem. Phys. 1978, 68, 4244. Torres, M.; Lown, R. M.; Gunning, H. E.; Strausz, O. P. Pure Appl. Chem. 1980, 52, 1623.
-
(1973)
J. Chem. Soc., Chem. Commun.
, pp. 688
-
-
Dewar, M.J.S.1
Ramsden, C.A.2
-
23
-
-
0006439278
-
-
Bouman, W. J.; Nobes, R. H.; Radom, L. R.; Woodward, C. E. J. Org. Chem. 1982, 47, 1869. Radom, L.; Hehre, W. J.; Pople, J. A. J. Am. Chem. Soc. 1971, 93, 289. Dewar, M. J. S.; Ramsden, C. A. J. Chem. Soc., Chem. Commun. 1973, 688. Lathan, W. A.; Radom, L.; Hariharan, P. C.; Hehre, W. J.; Pople, J. A. Top. Curr. Chem. 1973, 40, 1. Csizmadia, I. G.; Gunning, H. E.; Gosavi, R. K.; Strausz, O. P. J. Am. Chem. Soc. 1973, 95, 133. Strausz, O. P.; Gosavi, R. K.; Denes, A. S.; Csizmadia, I. G. J. Am. Chem. Soc. 1976, 98, 4784. Hopkinson, A. C.; Lien, M.; Yates, K.; Csizmadia, I. G. Prog. Theor. Org. Chem. 1977, 2, 230. Dykstra, C. E. J. Chem. Phys. 1978, 68, 4244. Torres, M.; Lown, R. M.; Gunning, H. E.; Strausz, O. P. Pure Appl. Chem. 1980, 52, 1623.
-
(1973)
Top. Curr. Chem.
, vol.40
, pp. 1
-
-
Lathan, W.A.1
Radom, L.2
Hariharan, P.C.3
Hehre, W.J.4
Pople, J.A.5
-
24
-
-
0042107991
-
-
Bouman, W. J.; Nobes, R. H.; Radom, L. R.; Woodward, C. E. J. Org. Chem. 1982, 47, 1869. Radom, L.; Hehre, W. J.; Pople, J. A. J. Am. Chem. Soc. 1971, 93, 289. Dewar, M. J. S.; Ramsden, C. A. J. Chem. Soc., Chem. Commun. 1973, 688. Lathan, W. A.; Radom, L.; Hariharan, P. C.; Hehre, W. J.; Pople, J. A. Top. Curr. Chem. 1973, 40, 1. Csizmadia, I. G.; Gunning, H. E.; Gosavi, R. K.; Strausz, O. P. J. Am. Chem. Soc. 1973, 95, 133. Strausz, O. P.; Gosavi, R. K.; Denes, A. S.; Csizmadia, I. G. J. Am. Chem. Soc. 1976, 98, 4784. Hopkinson, A. C.; Lien, M.; Yates, K.; Csizmadia, I. G. Prog. Theor. Org. Chem. 1977, 2, 230. Dykstra, C. E. J. Chem. Phys. 1978, 68, 4244. Torres, M.; Lown, R. M.; Gunning, H. E.; Strausz, O. P. Pure Appl. Chem. 1980, 52, 1623.
-
(1973)
J. Am. Chem. Soc.
, vol.95
, pp. 133
-
-
Csizmadia, I.G.1
Gunning, H.E.2
Gosavi, R.K.3
Strausz, O.P.4
-
25
-
-
0043109854
-
-
Bouman, W. J.; Nobes, R. H.; Radom, L. R.; Woodward, C. E. J. Org. Chem. 1982, 47, 1869. Radom, L.; Hehre, W. J.; Pople, J. A. J. Am. Chem. Soc. 1971, 93, 289. Dewar, M. J. S.; Ramsden, C. A. J. Chem. Soc., Chem. Commun. 1973, 688. Lathan, W. A.; Radom, L.; Hariharan, P. C.; Hehre, W. J.; Pople, J. A. Top. Curr. Chem. 1973, 40, 1. Csizmadia, I. G.; Gunning, H. E.; Gosavi, R. K.; Strausz, O. P. J. Am. Chem. Soc. 1973, 95, 133. Strausz, O. P.; Gosavi, R. K.; Denes, A. S.; Csizmadia, I. G. J. Am. Chem. Soc. 1976, 98, 4784. Hopkinson, A. C.; Lien, M.; Yates, K.; Csizmadia, I. G. Prog. Theor. Org. Chem. 1977, 2, 230. Dykstra, C. E. J. Chem. Phys. 1978, 68, 4244. Torres, M.; Lown, R. M.; Gunning, H. E.; Strausz, O. P. Pure Appl. Chem. 1980, 52, 1623.
-
(1976)
J. Am. Chem. Soc.
, vol.98
, pp. 4784
-
-
Strausz, O.P.1
Gosavi, R.K.2
Denes, A.S.3
Csizmadia, I.G.4
-
26
-
-
0042107990
-
-
Bouman, W. J.; Nobes, R. H.; Radom, L. R.; Woodward, C. E. J. Org. Chem. 1982, 47, 1869. Radom, L.; Hehre, W. J.; Pople, J. A. J. Am. Chem. Soc. 1971, 93, 289. Dewar, M. J. S.; Ramsden, C. A. J. Chem. Soc., Chem. Commun. 1973, 688. Lathan, W. A.; Radom, L.; Hariharan, P. C.; Hehre, W. J.; Pople, J. A. Top. Curr. Chem. 1973, 40, 1. Csizmadia, I. G.; Gunning, H. E.; Gosavi, R. K.; Strausz, O. P. J. Am. Chem. Soc. 1973, 95, 133. Strausz, O. P.; Gosavi, R. K.; Denes, A. S.; Csizmadia, I. G. J. Am. Chem. Soc. 1976, 98, 4784. Hopkinson, A. C.; Lien, M.; Yates, K.; Csizmadia, I. G. Prog. Theor. Org. Chem. 1977, 2, 230. Dykstra, C. E. J. Chem. Phys. 1978, 68, 4244. Torres, M.; Lown, R. M.; Gunning, H. E.; Strausz, O. P. Pure Appl. Chem. 1980, 52, 1623.
-
(1977)
Prog. Theor. Org. Chem.
, vol.2
, pp. 230
-
-
Hopkinson, A.C.1
Lien, M.2
Yates, K.3
Csizmadia, I.G.4
-
27
-
-
0042609033
-
-
Bouman, W. J.; Nobes, R. H.; Radom, L. R.; Woodward, C. E. J. Org. Chem. 1982, 47, 1869. Radom, L.; Hehre, W. J.; Pople, J. A. J. Am. Chem. Soc. 1971, 93, 289. Dewar, M. J. S.; Ramsden, C. A. J. Chem. Soc., Chem. Commun. 1973, 688. Lathan, W. A.; Radom, L.; Hariharan, P. C.; Hehre, W. J.; Pople, J. A. Top. Curr. Chem. 1973, 40, 1. Csizmadia, I. G.; Gunning, H. E.; Gosavi, R. K.; Strausz, O. P. J. Am. Chem. Soc. 1973, 95, 133. Strausz, O. P.; Gosavi, R. K.; Denes, A. S.; Csizmadia, I. G. J. Am. Chem. Soc. 1976, 98, 4784. Hopkinson, A. C.; Lien, M.; Yates, K.; Csizmadia, I. G. Prog. Theor. Org. Chem. 1977, 2, 230. Dykstra, C. E. J. Chem. Phys. 1978, 68, 4244. Torres, M.; Lown, R. M.; Gunning, H. E.; Strausz, O. P. Pure Appl. Chem. 1980, 52, 1623.
-
(1978)
J. Chem. Phys.
, vol.68
, pp. 4244
-
-
Dykstra, C.E.1
-
28
-
-
0005712041
-
-
Bouman, W. J.; Nobes, R. H.; Radom, L. R.; Woodward, C. E. J. Org. Chem. 1982, 47, 1869. Radom, L.; Hehre, W. J.; Pople, J. A. J. Am. Chem. Soc. 1971, 93, 289. Dewar, M. J. S.; Ramsden, C. A. J. Chem. Soc., Chem. Commun. 1973, 688. Lathan, W. A.; Radom, L.; Hariharan, P. C.; Hehre, W. J.; Pople, J. A. Top. Curr. Chem. 1973, 40, 1. Csizmadia, I. G.; Gunning, H. E.; Gosavi, R. K.; Strausz, O. P. J. Am. Chem. Soc. 1973, 95, 133. Strausz, O. P.; Gosavi, R. K.; Denes, A. S.; Csizmadia, I. G. J. Am. Chem. Soc. 1976, 98, 4784. Hopkinson, A. C.; Lien, M.; Yates, K.; Csizmadia, I. G. Prog. Theor. Org. Chem. 1977, 2, 230. Dykstra, C. E. J. Chem. Phys. 1978, 68, 4244. Torres, M.; Lown, R. M.; Gunning, H. E.; Strausz, O. P. Pure Appl. Chem. 1980, 52, 1623.
-
(1980)
Pure Appl. Chem.
, vol.52
, pp. 1623
-
-
Torres, M.1
Lown, R.M.2
Gunning, H.E.3
Strausz, O.P.4
-
29
-
-
0010922186
-
-
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, V; 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, V.31
Stewart, J.P.32
Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
30
-
-
36749108307
-
-
Nyden, M. R.; Petersson, G. A. J. Chem. Phys. 1981, 75, 1843. Petersson, G. A.; Al-Laham, M. A. J. Chem. Phys. 1991, 94, 6081. Petersson, G. A.; Tensfeldt, T.; Montgomery, J. A. J. Chem. Phys. 1991, 94, 6091. Montgomery, J. A.; Ochterski, J. W.; Petersson, G. A. J. Chem. Phys. 1994, 101, 5900.
-
(1981)
J. Chem. Phys.
, vol.75
, pp. 1843
-
-
Nyden, M.R.1
Petersson, G.A.2
-
31
-
-
0038035472
-
-
Nyden, M. R.; Petersson, G. A. J. Chem. Phys. 1981, 75, 1843. Petersson, G. A.; Al-Laham, M. A. J. Chem. Phys. 1991, 94, 6081. Petersson, G. A.; Tensfeldt, T.; Montgomery, J. A. J. Chem. Phys. 1991, 94, 6091. Montgomery, J. A.; Ochterski, J. W.; Petersson, G. A. J. Chem. Phys. 1994, 101, 5900.
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 6081
-
-
Petersson, G.A.1
Al-Laham, M.A.2
-
32
-
-
36449007061
-
-
Nyden, M. R.; Petersson, G. A. J. Chem. Phys. 1981, 75, 1843. Petersson, G. A.; Al-Laham, M. A. J. Chem. Phys. 1991, 94, 6081. Petersson, G. A.; Tensfeldt, T.; Montgomery, J. A. J. Chem. Phys. 1991, 94, 6091. Montgomery, J. A.; Ochterski, J. W.; Petersson, G. A. J. Chem. Phys. 1994, 101, 5900.
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 6091
-
-
Petersson, G.A.1
Tensfeldt, T.2
Montgomery, J.A.3
-
33
-
-
0000215083
-
-
Nyden, M. R.; Petersson, G. A. J. Chem. Phys. 1981, 75, 1843. Petersson, G. A.; Al-Laham, M. A. J. Chem. Phys. 1991, 94, 6081. Petersson, G. A.; Tensfeldt, T.; Montgomery, J. A. J. Chem. Phys. 1991, 94, 6091. Montgomery, J. A.; Ochterski, J. W.; Petersson, G. A. J. Chem. Phys. 1994, 101, 5900.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 5900
-
-
Montgomery, J.A.1
Ochterski, J.W.2
Petersson, G.A.3
-
34
-
-
84956767824
-
-
Hartree, D. R. Proc. Cambridge Philos. Soc. 1928, 24, 89. Fock, V. Z. Physik. 1930, 61, 126. Roothaan, C. C. J. Rev. Mod. Phys. 1951, 23, 69. Roothaan, C. C. J. Rev. Mod. Phys. 1960, 32, 179.
-
(1928)
Proc. Cambridge Philos. Soc.
, vol.24
, pp. 89
-
-
Hartree, D.R.1
-
35
-
-
34250926854
-
-
Hartree, D. R. Proc. Cambridge Philos. Soc. 1928, 24, 89. Fock, V. Z. Physik. 1930, 61, 126. Roothaan, C. C. J. Rev. Mod. Phys. 1951, 23, 69. Roothaan, C. C. J. Rev. Mod. Phys. 1960, 32, 179.
-
(1930)
Z. Physik.
, vol.61
, pp. 126
-
-
Fock, V.1
-
36
-
-
2342430094
-
-
Hartree, D. R. Proc. Cambridge Philos. Soc. 1928, 24, 89. Fock, V. Z. Physik. 1930, 61, 126. Roothaan, C. C. J. Rev. Mod. Phys. 1951, 23, 69. Roothaan, C. C. J. Rev. Mod. Phys. 1960, 32, 179.
-
(1951)
Rev. Mod. Phys.
, vol.23
, pp. 69
-
-
Roothaan, C.C.J.1
-
37
-
-
0042977504
-
-
Hartree, D. R. Proc. Cambridge Philos. Soc. 1928, 24, 89. Fock, V. Z. Physik. 1930, 61, 126. Roothaan, C. C. J. Rev. Mod. Phys. 1951, 23, 69. Roothaan, C. C. J. Rev. Mod. Phys. 1960, 32, 179.
-
(1960)
Rev. Mod. Phys.
, vol.32
, pp. 179
-
-
Roothaan, C.C.J.1
-
38
-
-
6944251055
-
-
Møller; C.; Plesset, M. S. Phys. Rev. 1936, 46, 618. Head-Gordon, M.; Pople, J. A.; Frisch, M. J. Chem. Phys. Lett. 1988, 153, 503. Frish, M. J.; Head-Gordon, M.; Pople, J. A. Chem. Phys. Lett. 1990, 166, 275. Frisch, M. J.; Head-Gordon, M.; Pople, J. A. Chem. Phys. Lett. 1990, 166, 281. Head-Gordon, M.; Head-Gordon, T. Chem. Phys. Lett. 1994, 220, 122.
-
(1936)
Phys. Rev.
, vol.46
, pp. 618
-
-
Møller1
, C.2
Plesset, M.S.3
-
39
-
-
25044455217
-
-
Møller; C.; Plesset, M. S. Phys. Rev. 1936, 46, 618. Head-Gordon, M.; Pople, J. A.; Frisch, M. J. Chem. Phys. Lett. 1988, 153, 503. Frish, M. J.; Head-Gordon, M.; Pople, J. A. Chem. Phys. Lett. 1990, 166, 275. Frisch, M. J.; Head-Gordon, M.; Pople, J. A. Chem. Phys. Lett. 1990, 166, 281. Head-Gordon, M.; Head-Gordon, T. Chem. Phys. Lett. 1994, 220, 122.
-
(1988)
Chem. Phys. Lett.
, vol.153
, pp. 503
-
-
Head-Gordon, M.1
Pople, J.A.2
Frisch, M.J.3
-
40
-
-
0001006433
-
-
Møller; C.; Plesset, M. S. Phys. Rev. 1936, 46, 618. Head-Gordon, M.; Pople, J. A.; Frisch, M. J. Chem. Phys. Lett. 1988, 153, 503. Frish, M. J.; Head-Gordon, M.; Pople, J. A. Chem. Phys. Lett. 1990, 166, 275. Frisch, M. J.; Head-Gordon, M.; Pople, J. A. Chem. Phys. Lett. 1990, 166, 281. Head-Gordon, M.; Head-Gordon, T. Chem. Phys. Lett. 1994, 220, 122.
-
(1990)
Chem. Phys. Lett.
, vol.166
, pp. 275
-
-
Frish, M.J.1
Head-Gordon, M.2
Pople, J.A.3
-
41
-
-
0004214970
-
-
Møller; C.; Plesset, M. S. Phys. Rev. 1936, 46, 618. Head-Gordon, M.; Pople, J. A.; Frisch, M. J. Chem. Phys. Lett. 1988, 153, 503. Frish, M. J.; Head-Gordon, M.; Pople, J. A. Chem. Phys. Lett. 1990, 166, 275. Frisch, M. J.; Head-Gordon, M.; Pople, J. A. Chem. Phys. Lett. 1990, 166, 281. Head-Gordon, M.; Head-Gordon, T. Chem. Phys. Lett. 1994, 220, 122.
-
(1990)
Chem. Phys. Lett.
, vol.166
, pp. 281
-
-
Frisch, M.J.1
Head-Gordon, M.2
Pople, J.A.3
-
42
-
-
0000949944
-
-
Møller; C.; Plesset, M. S. Phys. Rev. 1936, 46, 618. Head-Gordon, M.; Pople, J. A.; Frisch, M. J. Chem. Phys. Lett. 1988, 153, 503. Frish, M. J.; Head-Gordon, M.; Pople, J. A. Chem. Phys. Lett. 1990, 166, 275. Frisch, M. J.; Head-Gordon, M.; Pople, J. A. Chem. Phys. Lett. 1990, 166, 281. Head-Gordon, M.; Head-Gordon, T. Chem. Phys. Lett. 1994, 220, 122.
-
(1994)
Chem. Phys. Lett.
, vol.220
, pp. 122
-
-
Head-Gordon, M.1
Head-Gordon, T.2
-
43
-
-
0011682081
-
-
Pople, J. A.; Head-Gordon, M.; Raghavachari, K. J. Chem. Phys. 1987, 87, 5968. Gauss, J.; Cremer, C. Chem. Phys. Lett. 1980, 150, 280. Slater, E. A.; Trucks, G. W.; Bartlett, R. J. Chem. Phys. 1989, 90, 1752.
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 5968
-
-
Pople, J.A.1
Head-Gordon, M.2
Raghavachari, K.3
-
44
-
-
0001449284
-
-
Pople, J. A.; Head-Gordon, M.; Raghavachari, K. J. Chem. Phys. 1987, 87, 5968. Gauss, J.; Cremer, C. Chem. Phys. Lett. 1980, 150, 280. Slater, E. A.; Trucks, G. W.; Bartlett, R. J. Chem. Phys. 1989, 90, 1752.
-
(1980)
Chem. Phys. Lett.
, vol.150
, pp. 280
-
-
Gauss, J.1
Cremer, C.2
-
45
-
-
26444507215
-
-
Pople, J. A.; Head-Gordon, M.; Raghavachari, K. J. Chem. Phys. 1987, 87, 5968. Gauss, J.; Cremer, C. Chem. Phys. Lett. 1980, 150, 280. Slater, E. A.; Trucks, G. W.; Bartlett, R. J. Chem. Phys. 1989, 90, 1752.
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1752
-
-
Slater, E.A.1
Trucks, G.W.2
Bartlett, R.3
-
47
-
-
0001605155
-
-
McWeeny, R. F. Proc. R. Soc. A 1946, 196, 215. Boys, S. F. Proc. R. Soc. A 1950, 200, 542.
-
(1946)
Proc. R. Soc. A
, vol.196
, pp. 215
-
-
McWeeny, R.F.1
-
48
-
-
0000567090
-
-
McWeeny, R. F. Proc. R. Soc. A 1946, 196, 215. Boys, S. F. Proc. R. Soc. A 1950, 200, 542.
-
(1950)
Proc. R. Soc. A
, vol.200
, pp. 542
-
-
Boys, S.F.1
-
49
-
-
0042107988
-
Independent Electron Models: Hartree-Fock and Dirack-Fock for Many-Electron Atoms
-
Clementi, E., Ed.; STEF: Cagliari, Italy
-
Clementi, E.; Corongiu, G.; Murgia, G.; Paddeu, G.; Paglieri, L.; Pisani, L. Independent Electron Models: Hartree-Fock and Dirack-Fock for Many-Electron Atoms. In Methods and Techniques in Computational Chemistry: METECC-94; Clementi, E., Ed.; STEF: Cagliari, Italy, 1993; Vol. A. Foresman, J. B.; Frisch, Æxaexae. Exploring Chemistry with Electronic Structure Methods, 2nd ed.; Gaussian, Inc.: Pittsburgh, PA, 1996.
-
(1993)
Methods and Techniques in Computational Chemistry: METECC-94
, vol.A
-
-
Clementi, E.1
Corongiu, G.2
Murgia, G.3
Paddeu, G.4
Paglieri, L.5
Pisani, L.6
-
50
-
-
0003422992
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Clementi, E.; Corongiu, G.; Murgia, G.; Paddeu, G.; Paglieri, L.; Pisani, L. Independent Electron Models: Hartree-Fock and Dirack-Fock for Many-Electron Atoms. In Methods and Techniques in Computational Chemistry: METECC-94; dementi, E., Ed.; STEP: Cagliari, Italy, 1993; Vol. A. Foresman, J. B.; Frisch, Æxaexae. Exploring Chemistry with Electronic Structure Methods, 2nd ed.; Gaussian, Inc.: Pittsburgh, PA, 1996.
-
(1996)
Exploring Chemistry with Electronic Structure Methods, 2nd Ed.
-
-
Foresman, J.B.1
Frisch, Æ.2
-
51
-
-
0000189651
-
-
Becke, A. D. J. Chem. Phys. 1993, 98, 5648. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648
-
-
Becke, A.D.1
-
52
-
-
0345491105
-
-
Becke, A. D. J. Chem. Phys. 1993, 98, 5648. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
53
-
-
0031570587
-
-
Jursic, B. S. Chem. Phys. 1997, 219, 57. Jursic, B. S. J. Chem. Soc., Faraday Trans. 1997, 93, 2355. Jursic, B. S. Int. J. Quantum Chem. 1998, 66, 409. Jursic, B. S. Chem. Phys. Lett. 1998, 284, 281. Jursic, B. S. J. Mol. Struct. (THEOCHEM) 1998, 428, 61. Jursic, B. S. Theor. Chem. Ace. 1998, 99, 171 (J. Mol. Struct. (THEOCHEM) 1998).
-
(1997)
Chem. Phys.
, vol.219
, pp. 57
-
-
Jursic, B.S.1
-
54
-
-
33748627433
-
-
Jursic, B. S. Chem. Phys. 1997, 219, 57. Jursic, B. S. J. Chem. Soc., Faraday Trans. 1997, 93, 2355. Jursic, B. S. Int. J. Quantum Chem. 1998, 66, 409. Jursic, B. S. Chem. Phys. Lett. 1998, 284, 281. Jursic, B. S. J. Mol. Struct. (THEOCHEM) 1998, 428, 61. Jursic, B. S. Theor. Chem. Ace. 1998, 99, 171 (J. Mol. Struct. (THEOCHEM) 1998).
-
(1997)
J. Chem. Soc., Faraday Trans.
, vol.93
, pp. 2355
-
-
Jursic, B.S.1
-
55
-
-
0039932007
-
-
Jursic, B. S. Chem. Phys. 1997, 219, 57. Jursic, B. S. J. Chem. Soc., Faraday Trans. 1997, 93, 2355. Jursic, B. S. Int. J. Quantum Chem. 1998, 66, 409. Jursic, B. S. Chem. Phys. Lett. 1998, 284, 281. Jursic, B. S. J. Mol. Struct. (THEOCHEM) 1998, 428, 61. Jursic, B. S. Theor. Chem. Ace. 1998, 99, 171 (J. Mol. Struct. (THEOCHEM) 1998).
-
(1998)
Int. J. Quantum Chem.
, vol.66
, pp. 409
-
-
Jursic, B.S.1
-
56
-
-
0032570444
-
-
Jursic, B. S. Chem. Phys. 1997, 219, 57. Jursic, B. S. J. Chem. Soc., Faraday Trans. 1997, 93, 2355. Jursic, B. S. Int. J. Quantum Chem. 1998, 66, 409. Jursic, B. S. Chem. Phys. Lett. 1998, 284, 281. Jursic, B. S. J. Mol. Struct. (THEOCHEM) 1998, 428, 61. Jursic, B. S. Theor. Chem. Ace. 1998, 99, 171 (J. Mol. Struct. (THEOCHEM) 1998).
-
(1998)
Chem. Phys. Lett.
, vol.284
, pp. 281
-
-
Jursic, B.S.1
-
57
-
-
0001871980
-
-
Jursic, B. S. Chem. Phys. 1997, 219, 57. Jursic, B. S. J. Chem. Soc., Faraday Trans. 1997, 93, 2355. Jursic, B. S. Int. J. Quantum Chem. 1998, 66, 409. Jursic, B. S. Chem. Phys. Lett. 1998, 284, 281. Jursic, B. S. J. Mol. Struct. (THEOCHEM) 1998, 428, 61. Jursic, B. S. Theor. Chem. Ace. 1998, 99, 171 (J. Mol. Struct. (THEOCHEM) 1998).
-
(1998)
J. Mol. Struct. (THEOCHEM)
, vol.428
, pp. 61
-
-
Jursic, B.S.1
-
58
-
-
0032391710
-
-
Jursic, B. S. Chem. Phys. 1997, 219, 57. Jursic, B. S. J. Chem. Soc., Faraday Trans. 1997, 93, 2355. Jursic, B. S. Int. J. Quantum Chem. 1998, 66, 409. Jursic, B. S. Chem. Phys. Lett. 1998, 284, 281. Jursic, B. S. J. Mol. Struct. (THEOCHEM) 1998, 428, 61. Jursic, B. S. Theor. Chem. Ace. 1998, 99, 171 (J. Mol. Struct. (THEOCHEM) 1998).
-
(1998)
Theor. Chem. Ace.
, vol.99
, pp. 171
-
-
Jursic, B.S.1
-
59
-
-
0031570587
-
-
Jursic, B. S. Chem. Phys. 1997, 219, 57. Jursic, B. S. J. Chem. Soc., Faraday Trans. 1997, 93, 2355. Jursic, B. S. Int. J. Quantum Chem. 1998, 66, 409. Jursic, B. S. Chem. Phys. Lett. 1998, 284, 281. Jursic, B. S. J. Mol. Struct. (THEOCHEM) 1998, 428, 61. Jursic, B. S. Theor. Chem. Ace. 1998, 99, 171 (J. Mol. Struct. (THEOCHEM) 1998).
-
(1998)
J. Mol. Struct. (THEOCHEM)
-
-
-
60
-
-
0004148869
-
-
Cornell University Press: Ithaca, New York
-
Pauling, L. The Chemical Bond; Cornell University Press: Ithaca, New York, 1967.
-
(1967)
The Chemical Bond
-
-
Pauling, L.1
-
61
-
-
16244402020
-
High Accuracy Energy Models
-
Gaussian, Inc.: Pittsburgh, Pennsylvania, Chapter 7
-
Foresman, J. B.; Frisch, Æ. High Accuracy Energy Models. In Exploring Chemistry with Electronic Structure Method, 2nd ed.; Gaussian, Inc.: Pittsburgh, Pennsylvania, 1986, Chapter 7, pp 141-161. Frisch, M. J.; Trucks, G. W.; Cheeseman, J. R. Systematic Model Chemistries Based on Density Functional Theory: Comparison with Traditional Models and with Experiment. In Recent Developments and Applications of Modern Density Functional Theory; Seminario, J. M., Ed.; Elsevier Science: Amsterdam, The Netherlands, 1996; pp 679-707.
-
(1986)
Exploring Chemistry with Electronic Structure Method, 2nd Ed.
, pp. 141-161
-
-
Foresman, J.B.1
Frisch, Æ.2
-
62
-
-
77956681337
-
Systematic Model Chemistries Based on Density Functional Theory: Comparison with Traditional Models and with Experiment
-
Seminario, J. M., Ed.; Elsevier Science: Amsterdam, The Netherlands
-
Foresman, J. B.; Frisch, Æ. High Accuracy Energy Models. In Exploring Chemistry with Electronic Structure Method, 2nd ed.; Gaussian, Inc.: Pittsburgh, Pennsylvania, 1986, Chapter 7, pp 141-161. Frisch, M. J.; Trucks, G. W.; Cheeseman, J. R. Systematic Model Chemistries Based on Density Functional Theory: Comparison with Traditional Models and with Experiment. In Recent Developments and Applications of Modern Density Functional Theory; Seminario, J. M., Ed.; Elsevier Science: Amsterdam, The Netherlands, 1996; pp 679-707.
-
(1996)
Recent Developments and Applications of Modern Density Functional Theory
, pp. 679-707
-
-
Frisch, M.J.1
Trucks, G.W.2
Cheeseman, J.R.3
-
64
-
-
85034125309
-
-
note
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The hybrid density functional theory exploring of triplet potential energy surface for triplet oxygen assisted acetylene rearrangement into vinylidene through bimolecular reaction will be published elsewhere.
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