Pubblicazioni

Synthesis, Crystallographic, Quantum Chemical, Antitumor, and Molecular Docking/Dynamic Studies of 4-Hydroxycoumarin-Neurotransmitter Derivatives

2022 - INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

DimiÄ, DuÅ¡an S.; KaluÄeroviÄ, Goran N.; AvdoviÄ, Edina H.; MilenkoviÄ, Dejan A.; Å½ivanoviÄ, Marko N.; PotoÄÅÃ¡k, Ivan; SamoÄ¾ovÃ¡, Erika; DimitrijeviÄ, Milena S.; Saso, Luciano; MarkoviÄ, Zoran S.; DimitriÄ MarkoviÄ, Jasmina M.

Clarifying the Adsorption of Triphenylamine on Au(111): Filling the HOMOâLUMO Gap

2022 - JOURNAL OF PHYSICAL CHEMISTRY. C

Zhang, Teng; Svensson, Pamela H. W.; Emilia Brumboiu, Iulia; Lanzilotto, Valeria; Grazioli, Cesare; Guarnaccio, Ambra; Johansson, Fredrik O. L.; BeranovÃ¡, KlÃ¡ra; Coreno, Marcello; de Simone, Monica; Floreano, Luca; Cossaro, Albano; Brena, Barbara; Carla Puglia, And

m-MTDATA on Au(111): Spectroscopic Evidence of Molecule-Substrate Interactions

2022 - JOURNAL OF PHYSICAL CHEMISTRY. C

Zhang, T.; Grazioli, C.; Guarnaccio, A.; Brumboiu, I. E.; Lanzilotto, V.; Johansson, F. O. L.; Beranova, K.; Coreno, M.; de Simone, M.; Brena, B.; Puglia, C.

A DFT study on the mechanism of NO and N2O decomposition catalysed by Cu(I) pairs in Cu-ZSM-5: Revisited reactivity at the M6 ring

2022 - MOLECULAR CATALYSIS

De Rosa, M.; Morpurgo, S.

Development of novel kinetic energy functional for orbital-free density functional theory applications

2022 - INTERNATIONAL JOURNAL OF MODERN PHYSICS C

Urso, V.

Solvent and structural effects on silver(I) complex formation: thermodynamics and modeling

2022 - JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY

Zanonato, P. L.; Di Bernardo, P.; Melchior, A.; Tolazzi, M.; Polese, P.; Busato, M.

A DFT study on the mechanism of NO and N2O decomposition catalysed by Cu(I) pairs in Cu-ZSM-5: Revisited reactivity at the M6 ring

2022 - MOLECULAR CATALYSIS

De Rosa, Michele; Morpurgo, Simone

Ricerc@Sapienza

Pubblicazioni

Synthesis, Crystallographic, Quantum Chemical, Antitumor, and Molecular Docking/Dynamic Studies of 4-Hydroxycoumarin-Neurotransmitter Derivatives

Clarifying the Adsorption of Triphenylamine on Au(111): Filling the HOMOâLUMO Gap

m-MTDATA on Au(111): Spectroscopic Evidence of Molecule-Substrate Interactions

A DFT study on the mechanism of NO and N2O decomposition catalysed by Cu(I) pairs in Cu-ZSM-5: Revisited reactivity at the M6 ring

Development of novel kinetic energy functional for orbital-free density functional theory applications

Solvent and structural effects on silver(I) complex formation: thermodynamics and modeling

A DFT study on the mechanism of NO and N2O decomposition catalysed by Cu(I) pairs in Cu-ZSM-5: Revisited reactivity at the M6 ring

Thermodynamic Analysis of the Hydrolysis of Borate-Based Lithium Salts by Density Functional Theory

Reaction Mechanism of CO2 with Choline-Amino Acid Ionic Liquids: A Computational Study

alpha-As2Te3 as a platform for the exploration of the electronic band structure of single layer beta-tellurene