Massimiliano Aschi
Massimiliano Aschi
Professor of Chemistry
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The singlet and triplet states of phenyl cation. A hybrid approach for locating minimum energy crossing points between non-interacting potential energy surfaces
JN Harvey, M Aschi, H Schwarz, W Koch
Theoretical Chemistry Accounts 99 (2), 95-99, 1998
Silica surface features and their role in the adsorption of biomolecules: computational modeling and experiments
A Rimola, D Costa, M Sodupe, JF Lambert, P Ugliengo
Chemical reviews 113 (6), 4216-4313, 2013
Spin-forbidden dehydrogenation of methoxy cation: a statistical view
JN Harvey, M Aschi
Physical Chemistry Chemical Physics 1 (24), 5555-5563, 1999
Gold-catalyzed reactions of 2-alkynyl-phenylamines with α, β-enones
M Alfonsi, A Arcadi, M Aschi, G Bianchi, F Marinelli
The Journal of organic chemistry 70 (6), 2265-2273, 2005
Antimicrobial peptides: natural templates for synthetic membrane-active compounds
A Giuliani, G Pirri, A Bozzi, A Di Giulio, M Aschi, AC Rinaldi
Cellular and Molecular Life Sciences 65 (16), 2450-2460, 2008
Modelling spin-forbidden reactions: recombination of carbon monoxide with iron tetracarbonyl
JN Harvey, M Aschi
Faraday discussions 124, 129-143, 2003
HCN Synthesis from Methane and Ammonia:  Mechanisms of Pt+-Mediated C−N Coupling
M Diefenbach, M Brönstrup, M Aschi, D Schröder, H Schwarz
Journal of the American Chemical Society 121 (45), 10614-10625, 1999
A first-principles method to model perturbed electronic wavefunctions: the effect of an external homogeneous electric field
M Aschi, R Spezia, A Di Nola, A Amadei
Chemical physics letters 344 (3-4), 374-380, 2001
Crystal structure of the peroxisome proliferator-activated receptor γ (PPARγ) ligand binding domain complexed with a novel partial agonist: a new region of the hydrophobic …
R Montanari, F Saccoccia, E Scotti, M Crestani, C Godio, F Gilardi, ...
Journal of medicinal chemistry 51 (24), 7768-7776, 2008
A Gas‐Phase Model for the Pt+‐Catalyzed Coupling of Methane and Ammonia
M Aschi, M Brönstrup, M Diefenbach, JN Harvey, D Schröder, H Schwarz
Angewandte Chemie International Edition 37 (6), 829-832, 1998
Experimental and computational study of neutral xenon halides (XeX) in the gas phase for X= F, Cl, Br, and I
D Schröder, JN Harvey, M Aschi, H Schwarz
The Journal of chemical physics 108 (20), 8446-8455, 1998
The Reversible Opening of Water Channels in Cytochrome c Modulates the Heme Iron Reduction Potential
CA Bortolotti, A Amadei, M Aschi, M Borsari, S Corni, M Sola, I Daidone
Journal of the American Chemical Society 134 (33), 13670-13678, 2012
Pd-catalyzed regioselective hydroarylation of α-(2-aminoaryl)-α, β-ynones with organoboron derivatives as a tool for the synthesis of quinolines: experimental evidence and …
A Arcadi, M Aschi, F Marinelli, M Verdecchia
Tetrahedron 64 (22), 5354-5361, 2008
Spin isomerisation of para-substituted phenyl cations
M Aschi, JN Harvey
Journal of the Chemical Society, Perkin Transactions 2, 1059-1062, 1999
Theoretical characterization of electronic states in interacting chemical systems
A Amadei, M D’Alessandro, M D’Abramo, M Aschi
The Journal of chemical physics 130 (8), 084109, 2009
Quantitative structure-retention relationships of pesticides in reversed-phase high-performance liquid chromatography
M Aschi, AA D’Archivio, MA Maggi, P Mazzeo, F Ruggieri
Analytica chimica acta 582 (2), 235-242, 2007
Extension of the perturbed matrix method: application to a water molecule
R Spezia, M Aschi, A Di Nola, A Amadei
Chemical physics letters 365 (5-6), 450-456, 2002
Does adsorption at hydroxyapatite surfaces induce peptide folding? Insights from large-scale B3LYP calculations
A Rimola, M Aschi, R Orlando, P Ugliengo
Journal of the American Chemical Society 134 (26), 10899-10910, 2012
Cation–π interactions between ammonium ion and aromatic rings: an energy decomposition study
M Aschi, F Mazza, A Di Nola
Journal of Molecular Structure: THEOCHEM 587 (1-3), 177-188, 2002
Electronic properties of formaldehyde in water: a theoretical study
A Amadei, M D’Abramo, C Zazza, M Aschi
Chemical physics letters 381 (1-2), 187-193, 2003
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