Ikuti
Michele Ceotto
Michele Ceotto
Email yang diverifikasi di unimi.it - Beranda
Judul
Dikutip oleh
Dikutip oleh
Tahun
Quantum instanton approximation for thermal rate constants of chemical reactions
WH Miller, Y Zhao, M Ceotto, S Yang
The Journal of chemical physics 119 (3), 1329-1342, 2003
2012003
Electronic Structure of Pure and N-Doped TiO2 Nanocrystals by Electrochemical Experiments and First Principles Calculations
F Spadavecchia, G Cappelletti, S Ardizzone, M Ceotto, L Falciola
The Journal of Physical Chemistry C 115 (14), 6381-6391, 2011
1492011
A Close Look at the Structure of the TiO2-APTES Interface in Hybrid Nanomaterials and Its Degradation Pathway: An Experimental and Theoretical Study
D Meroni, L Lo Presti, G Di Liberto, M Ceotto, RG Acres, KC Prince, ...
The Journal of Physical Chemistry C 121 (1), 430-440, 2017
1372017
Multiple coherent states for first-principles semiclassical initial value representation molecular dynamics
M Ceotto, S Atahan, GF Tantardini, A Aspuru-Guzik
The Journal of chemical physics 130 (23), 2009
1122009
MultiWell-2017 software suite
JR Barker, TL Nguyen, JF Stanton, C Aieta, M Ceotto, F Gabas, ...
Ann Arbor, Michigan, 2017
1112017
First-principles semiclassical initial value representation molecular dynamics
M Ceotto, S Atahan, S Shim, GF Tantardini, A Aspuru-Guzik
Physical Chemistry Chemical Physics 11 (20), 3861-3867, 2009
942009
About the Nitrogen Location in Nanocrystalline N-Doped TiO2: Combined DFT and EXAFS Approach
M Ceotto, L Lo Presti, G Cappelletti, D Meroni, F Spadavecchia, R Zecca, ...
The Journal of Physical Chemistry C 116 (2), 1764-1771, 2012
852012
Semiclassical “Divide-and-Conquer” method for spectroscopic calculations of high dimensional molecular systems
M Ceotto, G Di Liberto, R Conte
Physical Review Letters 119 (1), 010401, 2017
812017
Wettability of bare and fluorinated silanes: A combined approach based on surface free energy evaluations and dipole moment calculations
G Cappelletti, S Ardizzone, D Meroni, G Soliveri, M Ceotto, C Biaggi, ...
Journal of colloid and interface science 389 (1), 284-291, 2013
752013
On-the-fly ab initio semiclassical calculation of glycine vibrational spectrum
F Gabas, R Conte, M Ceotto
Journal of chemical theory and computation 13 (6), 2378-2388, 2017
732017
Accelerated direct semiclassical molecular dynamics using a compact finite difference Hessian scheme
M Ceotto, Y Zhuang, WL Hase
The Journal of Chemical Physics 138 (5), 2013
682013
Reproducing deep tunneling splittings, resonances, and quantum frequencies in vibrational spectra from a handful of direct ab initio semiclassical trajectories
R Conte, A Aspuru-Guzik, M Ceotto
The journal of physical chemistry letters 4 (20), 3407-3412, 2013
612013
Fighting the curse of dimensionality in first-principles semiclassical calculations: Non-local reference states for large number of dimensions
M Ceotto, GF Tantardini, A Aspuru-Guzik
The Journal of chemical physics 135 (21), 2011
612011
Evaluating the accuracy of Hessian approximations for direct dynamics simulations
Y Zhuang, MR Siebert, WL Hase, KG Kay, M Ceotto
Journal of chemical theory and computation 9 (1), 54-64, 2013
572013
Unraveling the Cooperative Mechanism of Visible-Light Absorption in Bulk N,Nb Codoped TiO2 Powders of Nanomaterials
C Marchiori, G Di Liberto, G Soliveri, L Loconte, L Lo Presti, D Meroni, ...
The Journal of Physical Chemistry C 118 (41), 24152-24164, 2014
552014
The importance of the pre-exponential factor in semiclassical molecular dynamics
G Di Liberto, M Ceotto
The Journal of Chemical Physics 145 (14), 2016
512016
Investigation and optimization of photocurrent transient measurements on nano-TiO2
F Spadavecchia, S Ardizzone, G Cappelletti, L Falciola, M Ceotto, D Lotti
Journal of Applied Electrochemistry 43, 217-225, 2013
512013
First principles semiclassical calculations of vibrational eigenfunctions
M Ceotto, S Valleau, GF Tantardini, A Aspuru-Guzik
The Journal of chemical physics 134 (23), 2011
512011
How many water molecules are needed to solvate one?
A Rognoni, R Conte, M Ceotto
Chemical Science, 2021
502021
“Divide and conquer” semiclassical molecular dynamics: A practical method for spectroscopic calculations of high dimensional molecular systems
G Di Liberto, R Conte, M Ceotto
The Journal of Chemical Physics 148 (1), 2018
492018
Sistem tidak dapat melakukan operasi ini. Coba lagi nanti.
Artikel 1–20