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Jimenez Castillo, U. Torres, A. E. Fomine, S.

Zinc-, cadmium-, and mercury-containing one-dimensional tetraphenylporphyrin arrays: a DFT study - 2014 - Vol. 20, No. 4, Art. 2206 = Journal of Molecular Modeling

Subjects--Topical Terms:
Porphyrin
DFT
Dispersion correction
Reorganization energy
Polarons