… basis sets for predicting the binding energies of hydrogen bonded complexes: evidence of small basis set superposition error compared to Gaussian basis sets
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DOI:
文献链接: https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.20782
其他信息:
Y Inada, H Orita
Journal of computational chemistry, 2008
Wiley Online Library
… calculated using DNP are smaller than those calculated using 6-311 G(3df,2pd) in all of
the … that of the Gaussian 6-31G** basis set whose size is quite smaller than that of 6-311 G(3df,…
