Insights into the Effect of Curcumin and (-)-Epigallocatechin-3-Gallate on the Aggregation of Aβ(1-40) Monomers by Means of Molecular Dynamics
Tavanti, Francesco, Pedone, Alfonso, Menziani, Maria Cristina
Published in International journal of molecular sciences (30.07.2020)
Published in International journal of molecular sciences (30.07.2020)
Get full text
Journal Article
Structural origins of the Mixed Alkali Effect in Alkali Aluminosilicate Glasses: Molecular Dynamics Study and its Assessment
Lodesani, Federica, Menziani, Maria Cristina, Hijiya, Hiroyuki, Takato, Yoichi, Urata, Shingo, Pedone, Alfonso
Published in Scientific reports (19.02.2020)
Published in Scientific reports (19.02.2020)
Get full text
Journal Article
Development and Application of a ReaxFF Reactive Force Field for Cerium Oxide/Water Interfaces
Brugnoli, Luca, Menziani, Maria Cristina, Urata, Shingo, Pedone, Alfonso
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.07.2021)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.07.2021)
Get full text
Journal Article
Unraveling the internal conversion process within the Q-bands of a chlorophyll-like-system through surface-hopping molecular dynamics simulations
Fortino, Mariagrazia, Collini, Elisabetta, Bloino, Julien, Pedone, Alfonso
Published in The Journal of chemical physics (07.03.2021)
Published in The Journal of chemical physics (07.03.2021)
Get more information
Journal Article
Assessment of interatomic parameters for the reproduction of borosilicate glass structures via DFT‐GIPAW calculations
Fortino, Mariagrazia, Berselli, Alessandro, Stone‐Weiss, Nicholas, Deng, Lu, Goel, Ashutosh, Du, Jincheng, Pedone, Alfonso
Published in Journal of the American Ceramic Society (01.12.2019)
Published in Journal of the American Ceramic Society (01.12.2019)
Get full text
Journal Article
Interatomic potentials for oxide glasses: Past, present, and future
Pedone, Alfonso, Bertani, Marco, Brugnoli, Luca, Pallini, Annalisa
Published in Journal of non-crystalline solids. X (01.09.2022)
Published in Journal of non-crystalline solids. X (01.09.2022)
Get full text
Journal Article
Evidence of Catalase Mimetic Activity in Ce3+/Ce4+ Doped Bioactive Glasses
Nicolini, Valentina, Gambuzzi, Elisa, Malavasi, Gianluca, Menabue, Ledi, Menziani, Maria Cristina, Lusvardi, Gigliola, Pedone, Alfonso, Benedetti, Francesco, Luches, Paola, D’Addato, Sergio, Valeri, Sergio
Published in The journal of physical chemistry. B (12.03.2015)
Published in The journal of physical chemistry. B (12.03.2015)
Get full text
Journal Article
Can DFT Calculations Provide Useful Information for SERS Applications?
Muniz-Miranda, Maurizio, Muniz-Miranda, Francesco, Menziani, Maria Cristina, Pedone, Alfonso
Published in Molecules (Basel, Switzerland) (06.01.2023)
Published in Molecules (Basel, Switzerland) (06.01.2023)
Get full text
Journal Article
Understanding Aggregation-Induced Emission in Molecular Crystals: Insights from Theory
Presti, Davide, Wilbraham, Liam, Targa, Cecilia, Labat, Frédéric, Pedone, Alfonso, Menziani, Maria Cristina, Ciofini, Ilaria, Adamo, Carlo
Published in Journal of physical chemistry. C (16.03.2017)
Published in Journal of physical chemistry. C (16.03.2017)
Get full text
Journal Article