검색결과 : 64건
| No. | Article |
|---|---|
| 1 |
Reactivity of Metal Carbenes with Olefins: Theoretical Insights on the Carbene Electronic Structure and Cyclopropanation Reaction Mechanism Sa ED, Rimola A, Rodriguez-Santiago L, Sodupe M, Solans-Monfort X Journal of Physical Chemistry A, 122(6), 1702, 2018 |
| 2 |
Binding of Thioflavin T and Related Probes to Polymorphic Models of Amyloid-beta Fibrils Peccati F, Pantaleone S, Riffet V, Solans-Monfort X, Contreras-Garcia J, Guallar V, Sodupe M Journal of Physical Chemistry B, 121(38), 8926, 2017 |
| 3 |
B3LYP Periodic Study of the Physicochemical Properties of the Nonpolar (010) Mg-Pure and Fe-Containing Olivine Surfaces Navarro-Ruiz J, Ugliengo P, Rimola A, Sodupe M Journal of Physical Chemistry A, 118(31), 5866, 2014 |
| 4 |
3D Structures and Redox Potentials of Cu2+-A beta(1-16) Complexes at Different pH: A Computational Study Ali-Torres J, Mirats A, Marechal JD, Rodriguez-Santiago L, Sodupe M Journal of Physical Chemistry B, 118(18), 4840, 2014 |
| 5 |
Silica Surface Features and Their Role in the Adsorption of Biomolecules: Computational Modeling and Experiments Rimola A, Costa D, Sodupe M, Lambert JF, Ugliengo P Chemical Reviews, 113(6), 4216, 2013 |
| 6 |
Insights on the Binding of Thioflavin Derivative Markers to Amyloid-Like Fibril Models from Quantum Chemical Calculations Ali-Torres J, Rimola A, Rodriguez-Rodriguez C, Rodriguez-Santiago L, Sodupe M Journal of Physical Chemistry B, 117(22), 6674, 2013 |
| 7 |
Do H-Bond Features of Silica Surfaces Affect the H2O and NH3 Adsorption? Insights from Periodic B3LYP Calculations Musso F, Ugliengo P, Sodupe M Journal of Physical Chemistry A, 115(41), 11221, 2011 |
| 8 |
Structures and Stabilities of Fe2+/3+ Complexes Relevant to Alzheimer's Disease: An ab Initio Study Ali-Torres J, Rodriguez-Santiago L, Sodupe M, Rauk A Journal of Physical Chemistry A, 115(45), 12523, 2011 |
| 9 |
Ab Initio Design of Chelating Ligands Relevant to Alzheimer's Disease: Influence of Metalloaromaticity Rimola A, Ali-Torres J, Rodriguez-Rodriguez C, Poater J, Matito E, Sola M, Sodupe M Journal of Physical Chemistry A, 115(45), 12659, 2011 |
| 10 |
Three Dimensional Models of Cu2+-A beta(1-16) Complexes from Computational Approaches Ali-Torres J, Marechal JD, Rodriguez-Santiago L, Sodupe M Journal of the American Chemical Society, 133(38), 15008, 2011 |