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III.E.1.a.

Calculated Mulliken charges

Please enter the chemical formula

Rules for chemical formula

Species in the CCCBDB


References dealing with charges
Title Journal Volume Issue Pages Year Authors
Comparison of atomic charges derived via different procedures J. Comp. Chem. 14 2 1504-1518 1993 KB Wiberg, PR Rablen

Are we missing any? Please email us at cccbdb@nist.gov