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A new algorithm for predicting triplet-triplet energy-transfer activated complex coordinate in terms of accurate potential-energy surfaces.
Frutos LM, Castaño O. Frutos LM, et al. Among authors: castano o. J Chem Phys. 2005 Sep 8;123(10):104108. doi: 10.1063/1.1993592. J Chem Phys. 2005. PMID: 16178590
This algorithm makes use of the complete potential-energy surfaces (singlet and triplet states), and contrasts with the first-order approximation already published [L. M. Frutos, O. Castano, J. L. Andres, M. Merchan, and A. U. Acuna, J. Chem. ...
This algorithm makes use of the complete potential-energy surfaces (singlet and triplet states), and contrasts with the first-order approxim …
81 results