. Author manuscript; available in PMC: 2010 Sep 2.

Published in final edited form as: J Phys Chem B. 2009 Sep 3;113(35):12037–12049. doi: 10.1021/jp901504r

TABLE 1.

Summary of the Models Used for Spectral Calculations^a

Model	Electrostatic map	Nearest neighbor coupling map
CP1	Cho²⁹	Cho²⁹
CP2	Cho²⁹	Cho²⁹

KP	Keiderling³¹	Cho²⁹

KF1	Knoester⁴⁶	Knoster⁴⁷

KF2	Knoester⁴⁶	Knoester⁴⁷

MF	Mukamel⁴⁸	Cho²⁹

Parametrized atoms are shown in red. The red shading in the MF model schematically indicates the transition charge region for sampling.