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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: demoulin b. 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.
Simulations of molecular photodynamics in long timescales.
Mukherjee S, Pinheiro M Jr, Demoulin B, Barbatti M. Mukherjee S, et al. Among authors: demoulin b. Philos Trans A Math Phys Eng Sci. 2022 May 16;380(2223):20200382. doi: 10.1098/rsta.2020.0382. Epub 2022 Mar 28. Philos Trans A Math Phys Eng Sci. 2022. PMID: 35341303 Free PMC article.
Fine Tuning of Retinal Photoinduced Decay in Solution.
Demoulin B, Altavilla SF, Rivalta I, Garavelli M. Demoulin B, et al. J Phys Chem Lett. 2017 Sep 21;8(18):4407-4412. doi: 10.1021/acs.jpclett.7b01780. Epub 2017 Sep 5. J Phys Chem Lett. 2017. PMID: 28853582
Innovative community-based educational face-to-face intervention to reduce HIV, hepatitis C virus and other blood-borne infectious risks in difficult-to-reach people who inject drugs: results from the ANRS-AERLI intervention study.
Roux P, Le Gall JM, Debrus M, Protopopescu C, Ndiaye K, Demoulin B, Lions C, Haas A, Mora M, Spire B, Suzan-Monti M, Carrieri MP. Roux P, et al. Among authors: demoulin b. Addiction. 2016 Jan;111(1):94-106. doi: 10.1111/add.13089. Epub 2015 Sep 28. Addiction. 2016. PMID: 26234629
68 results