Antoni Macià Escatllar
Antoni Macià Escatllar
Correu electrònic verificat a ub.edu
TítolCitada perAny
Modeling hydroxylated nanosilica: Testing the performance of ReaxFF and FFSiOH force fields
A Macià Escatllar, P Ugliengo, ST Bromley
The Journal of Chemical Physics 146 (22), 224704, 2017
82017
Global optimisation of hydroxylated silica clusters: A cascade Monte Carlo Basin Hopping approach
A Cuko, A Maciá, M Calatayud, ST Bromley
Computational and Theoretical Chemistry 1102, 38-43, 2017
72017
Efficient preparation of TiO2 nanoparticle models using interatomic potentials
A Macià Escatllar, Á Morales-García, F Illas, ST Bromley
The Journal of chemical physics 150 (21), 214305, 2019
22019
Understanding the interplay between size, morphology and energy gap in photoactive TiO 2 nanoparticles
Á Morales-García, AM Escatllar, F Illas, ST Bromley
Nanoscale 11 (18), 9032-9041, 2019
22019
Structure and Properties of Nanosilicates with Olivine (Mg₂Si2O₄) _ {N} and Pyroxene (MgSiO₃) _ {N} Compositions
A Macià Escatllar, T Lazauskas, SM Woodley, ST Bromley
ACS Earth and Space Chemistry, 2019
12019
Properties of hydrated TiO 2 and SiO 2 nanoclusters: dependence on size, temperature and water vapour pressure
A Cuko, AM Escatllar, M Calatayud, ST Bromley
Nanoscale 10 (45), 21518-21532, 2018
12018
Computing Free Energies of Hydroxylated Silica Nanoclusters: Forcefield versus Density Functional Calculations
A Macià Escatllar, P Ugliengo, S Bromley
Inorganics 5 (3), 41, 2017
12017
What Can Infrared Spectra Tell Us about the Crystallinity of Nanosized Interstellar Silicate Dust Grains?
L Zamirri, A Macià Escatllar, J Mariñoso Guiu, P Ugliengo, ST Bromley
ACS Earth and Space Chemistry 3 (10), 2323-2338, 2019
2019
Structure and Properties of Nanosilicates with Olivine (Mg2SiO4)N and Pyroxene (MgSiO3)N Compositions
AM Escatllar, T Lazaukas, SM Woodley, ST Bromley
ACS Earth and Space Chemistry, 2019
2019
Stability or photoactivity? Properties of realistic TiO2 nanoparticles
Á Morales-García, A Macià, ST Bromley, F Illasa
INTERNATIONAL WORKSHOP, 52, 0
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