Sfoglia per Autore
Doped nano-titania: theoretical insight into structure-property relationships
2014 M. Ceotto, L. LO PRESTI, L. Loconte, D. Meroni, L. Falciola, V. Pifferi, G. Soliveri, G. Cappelletti, C.D. Aieta, R.G. Acres, S. Ardizzone
Unraveling the cooperative mechanism of visible-light absorption in bulk N,Nb codoped TiO2 powders of nanomaterials
2014 C. Marchiori, G. Di Liberto, G. Soliveri, L. Loconte, L. Lo Presti, D. Meroni, M. Ceotto, C. Oliva, S. Cappelli, G. Cappelletti, C. Aieta, S. Ardizzone
Second generation nitrogen doped titania nanoparticles: a comprehensive electronic and microstructural picture
2014 F. Spadavecchia, M. Ceotto, L. Lo Presti, C. Aieta, I. Biraghi, D. Meroni, S. Ardizzone, G. Cappelletti
An Efficient Computational Approach for the Calculation of the Vibrational Density of States
2016 C.D. Aieta, F. Gabas, M. Ceotto
A quantum approximate method for the calculation of thermal reaction rate constants
2016 C.D. Aieta, M. Ceotto
An efficient computational approach for the calculation of the vibrational density of states
2016 F. Gabas, C.D. Aieta, M. Ceotto
A quantum approximate method for the calculation of thermal reaction rate constants
2016 C.D. Aieta, M. Ceotto
A quantum method for thermal rate constant calculations from stationary phase approximation of the thermal flux-flux correlation function integral
2017 C. Aieta, M. Ceotto
Quantum and Semiclassical Methods for Molecular Rate Constants and Vibrational Spectra Calculations
2017 M. Ceotto, C. Aieta, F. Gabas, G. Di Liberto, R. Conte
Semiclassical “Divide-and-Conquer” Method for Spectroscopic Calculations of High Dimensional Molecular Systems
2017 M. Ceotto, R. Conte, G.D. Liberto, F. Gabas, M. Buchholz, C. Aieta
QUANTUM AND SEMICLASSICAL METHODS FOR RATE CONSTANT CALCULATIONS
2018 C.D. Aieta
Parallel Implementation of Semiclassical Transition State Theory
2019 C. Aieta, F. Gabas, M. Ceotto
Semiclassical molecular dynamics for spectroscopic calculations of high dimensional and condensed phase molecular systems
2019 M. Ceotto, R. Conte, G. Di Liberto, F. Gabas, M. Micciarelli, C. Aieta, G. Bertaina, M. Cazzaniga, M. Buchholz, F. Grossmann, J. Suarez
Parallel Implementation of Semiclassical Transition State Theory and its application to high-dimensional tunneling reactions
2019 C. Aieta, F. Gabas, M. Ceotto
Semiclassical Molecular Dynamics : a useful Tool for Spectroscopic Interpretation
2019 M. Ceotto, R. Conte, G. Di Liberto, F. Gabas, M. Micciarelli, C. Aieta, G. Bertaina, M. Cazzaniga, M. Buchholz, F. Grossmann, J. Suarez Corujo
Improved semiclassical dynamics through adiabatic switching trajectory sampling
2019 R. Conte, L. Parma, C. Aieta, A. Rognoni, M. Ceotto
Anharmonic quantum nuclear densities from full dimensional vibrational eigenfunctions with application to protonated glycine
2020 C. Aieta, M. Micciarelli, G. Bertaina, M. Ceotto
Machine learning for vibrational spectroscopy via divide-and-conquer semiclassical initial value representation molecular dynamics with application to N-methylacetamide
2020 M. Gandolfi, A. Rognoni, C.D. Aieta, R. Conte, M. Ceotto
Representing molecular ground and excited vibrational eigenstates with nuclear densities obtained from semiclassical initial value representation molecular dynamics
2020 C. Aieta, G. Bertaina, M. Micciarelli, M. Ceotto
Semiclassical Molecular Dynamics for Spectroscopic Calculations
2021 M. Ceotto, R. Conte, C.D. Aieta, F. Gabas, G. Bertaina, M. Cazzaniga, A. Rognoni, M. Micciarelli, M. Gandolfi, G. Botti
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