Sfoglia per Autore
Theoretical modeling of IRMOF-3: a computational approach on a heterogeneous Basic catalyst
2009-01-01 Cortese, R; Duca, D; Ferrante, F
Structural and kinetic DFT characterization of materials to rationalize catalytic performances
2009-01-01 ARMATA, N; BALDISSIN, G; BARONE, G; CORTESE, R; FERRANTE, F; GIUFFRIDA, S; PRESTIANNI, A; RUBINO, T; DUCA, D
Molecular-Level Characterization of Heterogeneous Catalytic Systems by Algorithmic Time Dependent Monte Carlo
2009-01-01 ARMATA, N; BALDISSIN, G; BARONE, G; CORTESE, R; D'ANNA, V; FERRANTE, F; GIUFFRIDA, S; LI MANNI, G; PRESTIANNI, A; RUBINO, T; VARGA, ZS; DUCA, D
L-Arabinose adsorption on a Ru cluster
2011-01-01 Cortese, R; Murzin, D Yu; Duca, D
IRMOF-3 and Knoevenagel condensation: a computational study
2011-01-01 Cortese, R; Duca, D
IRMOF-3 Zn4O Vertices: Role in Knoevenagel Condensation
2011-01-01 Cortese, R; Duca, D
A DFT study of IRMOF-3 catalysed Knoevenagel condensation
2011-01-01 Cortese, R; Duca, D
Computational approaches used in the POLYCAT EU project
2012-01-01 Cortese, R; Ferrante, F; Armata, N; Lo Celso, F; Prestianni, A; Duca, D
MOF DERIVATIVES AS MOLECULAR TOOLS TO TRAP METAL AZIDES
2012-01-01 Armata, N; Cortese, R; Duca, D; Triolo, R
HPS-based catalysts: a computational study
2012-01-01 Armata, N; Cortese, R; Ferrante, F; Lo Celso, F; Prestianni, A; Duca, D
L-arabinose adsorption on hydrogenated and hydrated ruthenium catalyst
2012-01-01 Cortese, R; Armata, N; Duca, D; Murzin, Yu D
MOF derivatives as cage for alkali-metal azides: a DFT study
2012-01-01 Cortese, R; Armata, N; Duca, D
Propan-2-ol dehydration on H-ZSM-5 and H-Y zeolite: a DFT study
2012-01-01 Prestianni, A; Cortese, R; Duca, D
l-Arabinose Conformers Adsorption on Ruthenium Surfaces: A DFT Study
2012-01-01 Cortese, R; Sifontes Herrera, VA; Duca, D; Murzin, DYu
Studio computazionale di catalizzatori nanostrutturati.
2012-03-26 Cortese, .
COMPUTATIONAL APPROACHES EMPLOYED IN THE SusFuelCat PROJECT
2013-01-01 Ferrante, F; Armata, N; Cortese, R; Lo Celso, F; Prestianni, A; Duca, D
Selective hydrogenation of 2-methyl-butyn-2-ol on Pd catalysts
2013-01-01 Cortese, R; Ferrante, F; Prestianni, A; Duca, D
Alkali-Metal Azides Interacting with Metal–Organic Frameworks
2013-01-01 Armata, N; Cortese, R; Duca, D; Triolo, R
The IR spectrum of adsorbates from ab initio molecular dynamics simulations
2014-01-01 Cortese, R; Ferrante, F; Duca, D; Lefferts, L
INSIGHTS WITHIN APR PROCESS USING VDW-DF FUNCTIONAL
2014-01-01 CORTESE, R; SCHIMMENTI, R; ARMATA N; DUCA, D
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