Sfoglia per Autore
Multiple coherent states semiclassical initial value representation spectra calculations of lateral interactions for CO on Cu(100)
2010 M. Ceotto, D. Dell'Angelo, G.F. Tantardini
Doped and undoped titania nanocrystals : theoretical bottom-up approach vs. experimental flatband potential studies
2010 M. Ceotto, G. Cappelletti, L. Falciola, F. Spadavecchia, S. Ardizzone
Multiple coherent states semiclassical representation for first principles molecular dynamics and dipole absorption spectra calculations of lateral interactions for CO on Cu(100)
2010 M. Ceotto, D. Dell'Angelo, G.F. Tantardini
Electronic structure of Pure and N-doped TiO2 Nanocrystals by Electrochemical Experiments and First Principles Calculations
2011 F. Spadavecchia, G. Cappelletti, S. Ardizzone, M. Ceotto, L. Falciola
Photocatalytic removal of ethanol and acetaldehyde by N-promoted TiO2 films: the role of the different nitrogen sources
2011 D. Meroni, S. Ardizzone, G. Cappelletti, C. Oliva, M. Ceotto, D. Poelman, H. Poelman
First principles semiclassical calculations of vibrational eigenfunctions
2011 M. Ceotto, S. Valleau, G.F. Tantardini, A. Aspuru Guzik
Electrochemical and theoretical studies for a better insight of the features of doped TiO2 nanoparticles
2011 F. Spadavecchia, M. Riva, S. Ardizzone, G. Cappelletti, M. Ceotto, L. Falciola
Organic-inorganic hybrid: the role played by surface energy and structure of the hydrophobizing molecules
2011 D. Meroni, S. Ardizzone, M. Ceotto, R. Annunziata, L.M. Raimondi, M. Benaglia, G. Cappelletti
Interplay between Chemistry and Texture in Hydrophobic TiO2Hybrids
2011 D. Meroni, S. Ardizzone, G. Cappelletti, M. Ceotto, M. Ratti, R. Annunziata, M. Benaglia, L.M. Raimondi
Fighting the curse of dimensionality in first-principles semiclassical calculations : Non-local reference states for large number of dimensions
2011 M. Ceotto, G.F. Tantardini, A. Aspuru-Guzik
Role of Pr on the semiconductor properties of nanotitania : an experimental and first-principles investigation
2012 F. Spadavecchia, G. Cappelletti, S. Ardizzone, M. Ceotto, M.S. Azzola, L. Lo Presti, G. Cerrato, L. Falciola
About the nitrogen location in nanocrystalline N-Doped TiO2: combined DFT and EXAFS approach
2012 M. Ceotto, L. Lo Presti, G. Cappelletti, D. Meroni, F. Spadavecchia, R. Zecca, M. Leoni, P. Scardi, C.L.M. Bianchi, S. Ardizzone
Vibration-assisted tunneling : a semiclassical instanton approach
2012 M. Ceotto
Insight into charge carriers recombination in doped titania films using photocurrent measurements
2012 D. Lotti, F. Spadavecchia, G. Cappelletti, L. Falciola, M. Ceotto, S. Ardizzone
Surface Free Energy of Bare and Fluorinated Siloxanes: Comparing Experimental Evaluation and Dipole Moments Calculations
2012 G. Cappelletti, S. Ardizzone, D. Meroni, M. Ceotto, C. Biaggi, M. Benaglia, L.M. Raimondi
Massive implementation of the European Chemistry Test at University of Milan
2013 M. Ceotto, C. Manuali, A. Manfredi
Full-Dimensional Ammonia Vibrational Spectrum from a Handful of Classical Trajectories
2013 M. Ceotto, R. Conte, A. Aspuru Guzik
Evaluating the accuracy of Hessian approximations for direct dynamics simulations
2013 Y. Zhuang, M.R. Siebert, W.L. Hase, K.G. Kay, M. Ceotto
Wettability of bare and fluorinated silanes :aA combined approach based on surface free energy evaluations and dipole moment calculations
2013 G. Cappelletti, S. Ardizzone, D. Meroni, G. Soliveri, M. Ceotto, C. Biaggi, M. Benaglia, L. Raimondi
Introduction to Quantum Espresso for semiconductors applications
2013 M. Ceotto
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