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0347178140
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note
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Spartan 4.0 (Wavefunction Inc., Irvine, CA) on a Silicon Graphics Indigo II workstation was used for preliminary studies.
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31
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0004133516
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Gaussian Inc., Pittsburgh, PA 1995 was used on a CRAY C94 supercomputer at CSC
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For the ab initio calculations Gaussian 94 [Frisch, M. J., Head-Gordon, M., Trucks, G. W., Foresman, J. B., Schlegel, H. B., Raghavachari, K., Robb, M. A., Binkley, J. S., Gonzales, C., Defrees, D. J., Fox, D. J., Whiteside, R. A., Seeger, R., Melius, C. F., Baker, J., Martin, R. L., Kahn, L. R., Stewart, J. J. P., Topiol, S. and Pople, J. A. Gaussian Inc., Pittsburgh, PA 1995] was used on a CRAY C94 supercomputer at CSC.
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Gaussian 94
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Frisch, M.J.1
Head-Gordon, M.2
Trucks, G.W.3
Foresman, J.B.4
Schlegel, H.B.5
Raghavachari, K.6
Robb, M.A.7
Binkley, J.S.8
Gonzales, C.9
Defrees, D.J.10
Fox, D.J.11
Whiteside, R.A.12
Seeger, R.13
Melius, C.F.14
Baker, J.15
Martin, R.L.16
Kahn, L.R.17
Stewart, J.J.P.18
Topiol, S.19
Pople, J.A.20
more..
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33
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0347178139
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note
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Insight II (Biosym Technologies, 9685 Scranton Road, San Diego, CA) on a Silicon Graphics Indigo II workstation was used for molecular graphics.
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