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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
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48
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0344961567
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note
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A typical CPU timing on a DEC Alpha 500/500 station for a single gradient calculation on peroxynitrite V was 96 min; the frequency calculation on the same structure took 25 h.
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49
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0001047608
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Wallington, T. J.; Dagaut, P.; Kurylo, M. J. Chem. Rev. 1992, 92, 667-710.
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(1992)
Chem. Rev.
, vol.92
, pp. 667-710
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Wallington, T.J.1
Dagaut, P.2
Kurylo, M.J.3
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