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Frutos LM, Sancho U, Garavelli M, Olivucci M, Castaño O.Frutos LM, et al. Among authors: castano o.J Phys Chem A. 2007 Apr 19;111(15):2830-8. doi: 10.1021/jp067590t. Epub 2007 Mar 28.J Phys Chem A. 2007.PMID: 17388575
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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 …