Article Versions Notes

Ougaard Dohn A, Selli D, Fazio G, Ferraro L, Mortensen JJ, Civalleri B, Di Valentin C. Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard–Jones Parameters for Water and to Study Solvation of TiO₂ Nanoparticles. Molecules. 2018; 23(11):2958. https://doi.org/10.3390/molecules23112958

Ougaard Dohn, Asmus, Daniele Selli, Gianluca Fazio, Lorenzo Ferraro, Jens Jørgen Mortensen, Bartolomeo Civalleri, and Cristiana Di Valentin. 2018. "Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard–Jones Parameters for Water and to Study Solvation of TiO₂ Nanoparticles" Molecules 23, no. 11: 2958. https://doi.org/10.3390/molecules23112958

Ougaard Dohn, A., Selli, D., Fazio, G., Ferraro, L., Mortensen, J. J., Civalleri, B., & Di Valentin, C. (2018). Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard–Jones Parameters for Water and to Study Solvation of TiO₂ Nanoparticles. Molecules, 23(11), 2958. https://doi.org/10.3390/molecules23112958