-
1
-
-
4244147312
-
-
N. Sahoo, S. K. Mishra, K. C. Mishra, A. Coker, T. P. Das, C. K. Mitra, L. C. Snyder, and A. Glodeanu, Phys. Rev. Lett., 50, 913 (1983).
-
(1983)
Phys. Rev. Lett.
, vol.50
, pp. 913
-
-
Sahoo, N.1
Mishra, S.K.2
Mishra, K.C.3
Coker, A.4
Das, T.P.5
Mitra, C.K.6
Snyder, L.C.7
Glodeanu, A.8
-
2
-
-
0000912443
-
-
S. Estreicher, A. K. Ray, J. L. Fry, and D. S. Marynick, Phys. Rev. B, B34, 6071 (1986).
-
(1986)
Phys. Rev. B
, vol.B34
, pp. 6071
-
-
Estreicher, S.1
Ray, A.K.2
Fry, J.L.3
Marynick, D.S.4
-
3
-
-
37049086380
-
-
T. A. Claxton, A. Evans, and M. C. R. Symons, J. Chem. Soc., Faraday Trans. 2, 82, 2031 (1986).
-
(1986)
J. Chem. Soc., Faraday Trans. 2
, vol.82
, pp. 2031
-
-
Claxton, T.A.1
Evans, A.2
Symons, M.C.R.3
-
7
-
-
0003662625
-
-
Gaussian, Inc., Pittsburgh, PA
-
"Ab-initio MO Calculation Program: Gaussian 94, Revision D.3," 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, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, 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, Inc., Pittsburgh, PA (1995).
-
(1995)
Ab-initio MO Calculation Program: Gaussian 94, Revision D.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.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..
-
9
-
-
0001439648
-
-
b) H. Tachikawa, K. Ohnishi, T. Hamabayashi, and H. Yoshida, J. Phys. Chem., 101, 2229 (1997).
-
(1997)
J. Phys. Chem.
, vol.101
, pp. 2229
-
-
Tachikawa, H.1
Ohnishi, K.2
Hamabayashi, T.3
Yoshida, H.4
-
11
-
-
0001200026
-
-
d) M. Abe, Y. Inagaki, L. L. Springsteen, Y. Matsumi, M. Kawasaki, and H. Tachikawa, J. Phys. Chem., 98, 12641 (1994).
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 12641
-
-
Abe, M.1
Inagaki, Y.2
Springsteen, L.L.3
Matsumi, Y.4
Kawasaki, M.5
Tachikawa, H.6
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15
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0009606424
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note
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d) Program code of the direct ab-initio dynamics calculation was created by our group.
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16
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0009624056
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note
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Experimental value of C-C bond distance is 1.546 Å.
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