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Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles.
Barbatti M, Bondanza M, Crespo-Otero R, Demoulin B, Dral PO, Granucci G, Kossoski F, Lischka H, Mennucci B, Mukherjee S, Pederzoli M, Persico M, Pinheiro M Jr, Pittner J, Plasser F, Sangiogo Gil E, Stojanovic L. Barbatti M, et al. Among authors: persico m. J Chem Theory Comput. 2022 Nov 8;18(11):6851-6865. doi: 10.1021/acs.jctc.2c00804. Epub 2022 Oct 4. J Chem Theory Comput. 2022. PMID: 36194696 Free PMC article.
A computational study of the excited states of bilirubin IX.
Granucci G, Mazzoni M, Persico M, Toniolo A. Granucci G, et al. Among authors: persico m. Phys Chem Chem Phys. 2005 Jul 7;7(13):2594-8. doi: 10.1039/b500661a. Epub 2005 May 31. Phys Chem Chem Phys. 2005. PMID: 16189569
Are azobenzenophanes rotation-restricted?
Ciminelli C, Granucci G, Persico M. Ciminelli C, et al. Among authors: persico m. J Chem Phys. 2005 Nov 1;123(17):174317. doi: 10.1063/1.2098628. J Chem Phys. 2005. PMID: 16375538
Including quantum decoherence in surface hopping.
Granucci G, Persico M, Zoccante A. Granucci G, et al. Among authors: persico m. J Chem Phys. 2010 Oct 7;133(13):134111. doi: 10.1063/1.3489004. J Chem Phys. 2010. PMID: 20942527
502 results