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Characterization of Deformational Isomerization Potential and Interconversion Dynamics with Ultrafast X-ray Solution Scattering.
J Am Chem Soc. 2024 May 22;146(20):13962-13973. doi: 10.1021/jacs.4c00817. Epub 2024 May 10.
J Am Chem Soc. 2024.
PMID: 38727611
Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard⁻Jones Parameters for Water and to Study Solvation of TiO₂ Nanoparticles.
Ougaard Dohn A, Selli D, Fazio G, Ferraro L, Mortensen JJ, Civalleri B, Di Valentin C.
Ougaard Dohn A, et al.
Molecules. 2018 Nov 13;23(11):2958. doi: 10.3390/molecules23112958.
Molecules. 2018.
PMID: 30428551
Free PMC article.
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