Nickel(II) Chiroporphyrin-14 Molecular Dynamics Simulation at 300K (250 ps from a 2-ns trajectory).
"Origin of the Red Shifts in the Optical Absorption Bands of Nonplanar Tetraalkylporphyrins"
Haddad, R. E.; Gazeau, S.; Pécaut, J.; Marchon, J.-C.; Medforth, C. J.; Shelnutt, J. A. J. Am. Chem. Soc. 2002, in press.
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