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. Author manuscript; available in PMC: 2015 Jul 31.
Published in final edited form as: J Phys Chem A. 2015 May 18;119(22):5865–5882. doi: 10.1021/acs.jpca.5b03159

Table 5.

Root-mean-square-fluctuations (RMSF) of the amount of charge transfer between monomers calculated at the B3LYP level of theory with 9 basis sets

charge definition Löwdin Mulliken Becke Hirshfeld Hirshfeld-I CM5 NPA CHELPG MK-ESP
RMSF 0.0187 0.0418 0.0023 0.0041 0.0062 0.0041 0.0023 0.0050 0.0069