Comparison of MOPAC configurations and molecular model size.
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资源简介：
PM6 H (in kcal/mol) of TI depending on GCC (in kcal/(molÅ)) and NDDO cutoff (in Å), wall clock time for geometry optimization in parenthesis (in h). “PM6//C9”: PM6 H computed on structure optimized with MOZYME and NDDO cutoff set to 9 Å. Average wall clock time (in h) for SPE calculations in (a), (b) and (c): 0.01, 1.4, 21.0.
创建时间：
2012-12-17
