. 2014 Aug 13;10(9):3871–3884. doi: 10.1021/ct5005214

Table 1. Description of the Nomenclature Scheme Used Throughout This Report^a.

protonation state	q	C₄–O(H)	PP_i	E126
RO^–P^–E^H	–3			H
RO^–P^HE^H	–2		H	H
RO^HP^–E^–	–3	H
RO^HP^HE^–	–2	H	H
RO^HP^–E^H	–2	H		H
RO^HP^HE^H	–1	H	H	H

Unless an H is listed, the moiety described by each column is assumed to be fully deprotonated. The total charge (q) of the active site quantum cluster is given for each state.

Table 1. Description of the Nomenclature Scheme Used Throughout This Reporta.

Table 1. Description of the Nomenclature Scheme Used Throughout This Report^a.