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1
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For example
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For example: Palmer, D. A.; Van Eldik, K. Chem. Rev. 1983, 83, 651. Darensbourg, D. J.; Kudaroski, R. A. Adv. Organomet. Chem. 1983, 22, 129.
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3
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33947092706
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Gambarotta, S.; Arena, F.; Floriani, C.; Zanazzi, P. F. J. Am. Chem. Soc. 1982, 104, 5082.
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Fachinetti, G.; Floriani, C.; Zanazzi, P. F. J. Am. Chem. Soc. 1978, 100, 7405. (b) Gambarotta, S.; Arena, F.; Floriani, C.; Zanazzi, P. F. J. Am. Chem. Soc. 1982, 104, 5082.
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Fachinetti, G.1
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37049106945
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Bristow, G. S.; Hitchcock, P. B.; Lappert, M. F. J. Chem. Soc., Chem. Commun. 1981, 1145.
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Bristow, G.S.1
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5
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33845551955
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Calabrese, J. C.; Herskobitz, T.; Kinney, J. B. J. Am. Chem. Soc. 1983, 105, 5914.
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Kinney, J.B.3
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6
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0011594086
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Alvarez, R.; Carmona, E.; Mann, J. M.; Poveda, M. L.; Gutierrez-Puebla, E.; Monge, A. J. Am. Chem. Soc. 1986, 108, 2286. (c) Albarez, R.; Carmona, E.; Cole-Hamilton, D. J.; Galindo, A.; Gutierrez-Puebla, E.; Monge, A.; Poveda, M. L.; Ruiz, C. J. Am. Chem. Soc. 1985, 107, 5529.
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Alvarez, R.; Carmona, E.; Poveda, M. L.; Sanchez-Delgado, R. J. Am. Chem. Soc. 1984, 106, 2731. (b) Alvarez, R.; Carmona, E.; Mann, J. M.; Poveda, M. L.; Gutierrez-Puebla, E.; Monge, A. J. Am. Chem. Soc. 1986, 108, 2286. (c) Albarez, R.; Carmona, E.; Cole-Hamilton, D. J.; Galindo, A.; Gutierrez-Puebla, E.; Monge, A.; Poveda, M. L.; Ruiz, C. J. Am. Chem. Soc. 1985, 107, 5529.
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Alvarez, R.1
Carmona, E.2
Poveda, M.L.3
Sanchez-Delgado, R.4
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7
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0010890214
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Bodnar, T.; Coman, E.; Menard, K.; Cutler, A. Inorg. Chem. 1982, 21, 1275.
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Bodnar, T.1
Coman, E.2
Menard, K.3
Cutler, A.4
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8
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33847087833
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Lieber. C. M.: Lewis. N. S. J. Am. Chem. Soc. 1984. 106. 5033.
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Fisher, B.; Eisenberg, R. J. Am. Chem. Soc. 1980, 102, 7361. (b) Lieber. C. M.: Lewis. N. S. J. Am. Chem. Soc. 1984. 106. 5033.
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Fisher, B.1
Eisenberg, R.2
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10
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0000311908
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Aida, T.; Inoue, S. J. Am. Chem. Soc. 1983, 105, 1304. (c) Kojima, F.; Aida. T.: Inoue. S. J. Am. Chem. Soc. 1986. 108. 391.
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Takeda, N.; Inoue, S. Bull. Chem. Soc. Jpn. 1978, 51, 3564. (b) Aida, T.; Inoue, S. J. Am. Chem. Soc. 1983, 105, 1304. (c) Kojima, F.; Aida. T.: Inoue. S. J. Am. Chem. Soc. 1986. 108. 391.
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Bull. Chem. Soc. Jpn
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Takeda, N.1
Inoue, S.2
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11
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0011004909
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Demoulin, D.; Pullmann, A. Theoret. Chim. Acta 1978, 49, 161. (c) Ozin, G. A.; Huber, H.; McIntosh, D. Inorg. Chem. 1978, 17, 1472.
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Sakaki, S.; Kudou, N.; Ohyoshi, A. Inorg. Chem. 1977, 16, 202. (b) Demoulin, D.; Pullmann, A. Theoret. Chim. Acta 1978, 49, 161. (c) Ozin, G. A.; Huber, H.; McIntosh, D. Inorg. Chem. 1978, 17, 1472.
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Inorg. Chem
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Sakaki, S.1
Kudou, N.2
Ohyoshi, A.3
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12
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0000409892
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Sakaki, S.; Kitaura, K.; Morokuma, K. Inorg. Chem. 1982, 21, 760.
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Inorg. Chem.
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Sakaki, S.1
Kitaura, K.2
Morokuma, K.3
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13
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0002552437
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Mealli, C.; Hoffmann, R.; Stockis, A. Inorg. Chem. 1984, 23, 56.
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Inorg. Chem.
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Mealli, C.1
Hoffmann, R.2
Stockis, A.3
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14
-
-
85022469280
-
Program 0372, IMS Computer
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The Institute for Molecular Science, This program was used after minor modification by S. S.
-
Morokuma, K.; Kato, S.; Kitaura, K.; Ohmine, I.; Sakai, S.; Obara, S. Program 0372, IMS Computer Program Library, The Institute for Molecular Science, 1980. This program was used after minor modification by S. S.
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(1980)
Program Library
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Morokuma, K.1
Kato, S.2
Kitaura, K.3
Ohmine, I.4
Sakai, S.5
Obara, S.6
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15
-
-
85022479263
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unpublished work
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Benard, M.; Dedieu, A.; Demuynck, J.; Rohmer, M. M.; Strich, A.; Veillard, A., unpublished work.
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-
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Benard, M.1
Dedieu, A.2
Demuynck, J.3
Rohmer, M.M.4
Strich, A.5
Veillard, A.6
-
16
-
-
0344130631
-
-
The original set of (12s 6p 4d) presented by Roos-Veillard-Vinot was augmented by a primitive p function (exponent ξ = 0.118 259) and a diffuse d primitive function with an exponent proposed by Hay: Roos, B.; Veillard, A.; Vinot, G. Theoret. Chim. Acta 1971, 20, 1. Hay, P. J. J. Chem. Phys. 1977. 66. 4377.
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(1971)
Theoret. Chim. Acta
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Roos, B.1
Veillard, A.2
Vinot, G.3
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17
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0000141448
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Ditchfield, R.; Hehre, W. J.; Pople, J. A. J. Chem. Phys. 1971, 54, 724.
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(1971)
J. Chem. Phys.
, vol.54
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Ditchfield, R.1
Hehre, W.J.2
Pople, J.A.3
-
18
-
-
0000956637
-
-
The original (13s 7p 5d) set was modified by adding an s primitive (ξ = 0.3572), two p primitives (ξ = 0.2728, 0.0886), and a d primitive (ξ = 0.1173), where these exponents were estimated from the even-tempered criterion.
-
Hyla-Kryspin, I.; Demuynck, J.; Strich, A.; Benard, M. J. Chem. Phys. 1981, 75, 3954. The original (13s 7p 5d) set was modified by adding an s primitive (ξ = 0.3572), two p primitives (ξ = 0.2728, 0.0886), and a d primitive (ξ = 0.1173), where these exponents were estimated from the even-tempered criterion.
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(1981)
J. Chem. Phys.
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, pp. 3954
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Hyla-Kryspin, I.1
Demuynck, J.2
Strich, A.3
Benard, M.4
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19
-
-
0004141882
-
Approximate Wavefunction
-
University of Alberta.
-
Huzinaga, S. Approximate Wavefunction”, Technical Report, University of Alberta. 1971.
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(1971)
Technical Report
-
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Huzinaga, S.1
-
20
-
-
85022476312
-
Method of Electronic
-
Primitives for the s function were taken from ref 20, but primitives for the p function were from the work of: Schaeffer, H. F., Ed.; Plenum: New York
-
Primitives for the s function were taken from ref 20, but primitives for the p function were from the work of: Dunning, T. H.; Hay, P. J. In Method of Electronic Structure Theory; Schaeffer, H. F., Ed.; Plenum: New York, 1977; p. 23.
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(1977)
Structure Theory
, pp. 23
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Dunning, T.H.1
Hay, P.J.2
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23
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0000922460
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Schaefer, W. P.; Marsh, R. E. Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. 1969, B25, 1675.
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(1969)
Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem.
, vol.B25
, pp. 1675
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Schaefer, W.P.1
Marsh, R.E.2
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24
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33847089778
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Kitaura, K.; Morokuma, K. Int. J. Quantum. Chem. 1976, 10, 325. (c) Kitaura, K.; Sakaki, S.; Morokuma, K. Inorg. Chem. 1981, 20, 2292.
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Morokuma, K. Acc. Chem. Res. 1977, 10, 294. (b) Kitaura, K.; Morokuma, K. Int. J. Quantum. Chem. 1976, 10, 325. (c) Kitaura, K.; Sakaki, S.; Morokuma, K. Inorg. Chem. 1981, 20, 2292.
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Acc. Chem. Res.
, vol.10
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Morokuma, K.1
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25
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84890021933
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Ostlund, N. S.; Merrifield, D. L. Chem. Phys. Lett. 1976, 39. 612.
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Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19, 553. Ostlund, N. S.; Merrifield, D. L. Chem. Phys. Lett. 1976, 39. 612.
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Mol. Phys.
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Boys, S.F.1
Bernardi, F.2
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26
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-
0000661616
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-
This idea has been proposed in the following papers: Bagus, P. S.; Herman, K.; Bauschlicher, C. W. J. Chem. Phys. 1984, 80, 4378; 1984, 81, 1966. Bausch C. W.; Bagus, P. S. J. Chem. Phys. 1984, 81, 5889.
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This idea has been proposed in the following papers: Petterson, L.; Wahlgren, U. Chem. Phys. 1982, 69, 185. Bagus, P. S.; Herman, K.; Bauschlicher, C. W. J. Chem. Phys. 1984, 80, 4378; 1984, 81, 1966. Bausch C. W.; Bagus, P. S. J. Chem. Phys. 1984, 81, 5889.
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Chem. Phys.
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Petterson, L.1
Wahlgren, U.2
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27
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-
85022477756
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Grice, N.; Kao, S. C.; Pettit, R. J. Am. Chem. Soc. 1979, 101, 1627. (c) Lee, G. R.; Cooper, N. J. Organometallics 1985, 4, 794.
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Evans, G. O.; Walter, W. F.; Mills, D. R.; Streit, C. A. J. Organomet. Chem. 1978, 144, C34. (b) Grice, N.; Kao, S. C.; Pettit, R. J. Am. Chem. Soc. 1979, 101, 1627. (c) Lee, G. R.; Cooper, N. J. Organometallics 1985, 4, 794.
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J. Organomet. Chem.
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Evans, G.O.1
Walter, W.F.2
Mills, D.R.3
Streit, C.A.4
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28
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37049103460
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Bowman, K.; Deening, A. J.; Proud, G. L. J. Chem. Soc., Dalton Trans. 1985, 857.
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(1985)
J. Chem. Soc., Dalton Trans.
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Bowman, K.1
Deening, A.2
Proud, G.L.3
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29
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0001263256
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Tatsumi, K.; Nakamura, A.; Hofmann, P.; Stauffert, P.; Hoffmann, R. J. Am. Chem. Soc. 1985, 107, 4358.
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Tatsumi, K.1
Nakamura, A.2
Hofmann, P.3
Stauffert, P.4
Hoffmann, R.5
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