Crystal engineering and molecular recognition of DNA/RNA bases via XRD, AFM, theoretical calculations and thermodynamic measurements. A combined approach Line of research In this project, we aim to combine single-crystal X-ray diffraction (XRD) and molecular modeling to fully describe DNA/RNA old and newly-detected nucleobases (homomers and heteromers) in 2D and 3D aggregates obtained through hydrogen and halogen bonds. Crystal engineering and molecular recognition of DNARNA bases via XRD, AFM, theoretical calculations and thermodynamic measurements. A combined approach.pdf Staff Supervisor: Gustavo Portalone Publications Role of Weak Hydrogen Bonds and Halogen Bonds in 5-Halo-1,3-dimethyluracils and Their Cocrystals—A Combined Experimental and Computational StudyMultifacial Recognition in Binary and Ternary Cocrystals from 5‑Halouracil and Aminoazine DerivativesChemisorption of uracil on gold surfaces via density functional theorySite Selectivity of Halogen Oxygen Bonding in 5- and 6-Haloderivatives of UracilTesting a Variety of Electronic-Structure-Based Methods for the Relative Energies of 5-Formyluracil CrystalsThe Role of Hydrogen Bonding and Proton Transfer in the Formation of Uracil Networks on the Gold (100) Surface: A Density Functional Theory Approach Collaborations National collaborations: Prof. Massimiliano AschiInternational collaborations: Prof. Kari RissanenProf. Nenad Filipovic Fundings and awards Fundings: Finanziamento Ateneo 2016Finanziamento Ateneo 2015Finanziamento Ateneo 2020 Theme and ERC Theme: Life-Sciences chemistryERC: LS1_1 Molecular interactionsPE4_3 Molecular architecture and StructurePE5_16 Supramolecular chemistry Traineeship offer Area di ricerca: Physical chemistryInorganic chemistryAvailability: one positionCourse of study (advised): ChemistryInfo: suggerimenti per la preparzione di una tesi di laurea e sua presentazione.ppt
