Sfoglia per Autore
Protonated ozone: structure, energetics, and nonadiabatic effects
1999 M. Ceotto, F.A. Gianturco, D.M. Hirst
Charge-transfer effects in the gas-phase protonation of ozone: Locating the conical intersections
2000 M. Ceotto, F.A. Gianturco
Internal coordinate couplings and symmetry properties: The search of a conical seam in protonated oxygen
2001 M. Ceotto, F.A. Gianturco
Gas-phase proton affinity of ozone : a computational test of the experimental mechanism
2001 M. Ceotto, F.A. Gianturco
A reduced-dimensionality quantum model which incorporates the full-dimensional energy of the system: Application to the vibrational predissociation of Cl-2-Ne-2
2001 M. Ceotto, A. García Vela
Quantum instanton approximation for thermal rate constants of chemical reactions
2003 W.H. Miller, Y. Zhao, M. Ceotto, S. Yang
Test of the quantum instanton approximation for thermal rate constants for some collinear reactions
2004 M. Ceotto, W.H. Miller
Quantum reaction rate from higher derivatives of the thermal flux-flux autocorrelation function at time zero
2005 M. Ceotto, S. Yang, W.H. Miller
Power Spectra for adsorbed molecules
2007 M. Ceotto, G.F. Tantardini
First-principles semiclassical molecular power spectra
2007 M. Ceotto, G.F. Tantardini, A. Aspuru Guzik, S. Atahan
Accelerated superposition state molecular dynamics for condensed phase systems
2008 M. Ceotto, G.S. Ayton, G.A. Voth
Semiclassical initial value representation implementations
2008 M. Ceotto
First-principles implementation of semiclassical initial value representation molecular dynamics
2009 M. Ceotto, G.F. Tantardini, S. Atahan, A. Aspuru Guzik
First-principles semiclassical initial value representation molecular dynamics
2009 M. Ceotto, S. Atahan, S. Shim, G.F. Tantardini, A. Aspuru Guzik
Multiple coherent states for first-principles semiclassical initial value representation molecular dynamics
2009 M. Ceotto, S. Atahan, G.F. Tantardini, A. Aspuru Guzik
Electrochemistry as a tool for nano-TiO2 deposition and for photoremediation pollutant monitoring
2010 G. Cappelletti, L. Falciola, M. Ceotto, E. Paoli, A. Magenta, M. Falcone
Electrochemical nano-TiO2 deposition and organic/inorganic pollutants photoremediation
2010 G. Cappelletti, M. Ceotto, L. Falciola, M. Falcone, A. Magenta, F. Mocchetti, E. Paoli
Pure and N-doped TiO2 nanoparticles : Flat-band potential evaluation by different approaches
2010 F. Spadavecchia, S. Ardizzone, G. Cappelletti, M. Ceotto, L. Falciola
Flat-band potential measurements of pure and N-doped nanostructured TiO2 films
2010 F. Spadavecchia, S. Ardizzone, G. Cappelletti, M. Ceotto, L. Falciola
First principles semiclassical initial values representation molecular dynamics
2010 M. Ceotto
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