Benchmarking TD-DFT against vibrationally-resolved absorption spectra at room temperature: 7-aminocoumarins as test cases F Muniz-Miranda, A Pedone, G Battistelli, M Montalti, J Bloino, V Barone Journal of Chemical Theory and Computation 11 (11), 5371–5384, 2015 | 81 | 2015 |
Assessment of exchange-correlation functionals in reproducing the structure and optical gap of organic-protected gold nanoclusters F Muniz-Miranda, MC Menziani, A Pedone The Journal of Physical Chemistry C 118 (14), 7532-7544, 2014 | 63 | 2014 |
SERS and DFT study of copper surfaces coated with corrosion inhibitor M Muniz-Miranda, F Muniz-Miranda, S Caporali Beilstein Journal of Nanotechnology 5 (1), 2489-2497, 2014 | 53 | 2014 |
Immobilization of Ir(I) complex on covalent triazine frameworks for C-H borylation reactions: A combined experimental and computational study Tahir, Muniz-Miranda, Everaert, Tack, Heugebaert, Leus, Vincze, Stevens, ... Journal of Catalysis 371, 135-143, 2019 | 50 | 2019 |
Hydrogen bond dynamics of methyl acetate in methanol M Pagliai, F Muniz-Miranda, G Cardini, R Righini, V Schettino The Journal of Physical Chemistry Letters 1 (19), 2951-2955, 2010 | 44 | 2010 |
Influence of Silver Doping on the Photoluminescence of Protected AgnAu25-n Nanoclusters: A Time-Dependent Density Functional Theory Investigation F Muniz-Miranda, MC Menziani, A Pedone The Journal of Physical Chemistry C 119 (19), 10766-10775, 2015 | 43 | 2015 |
A DFT Approach to the Surface-Enhanced Raman Scattering of 4-Cyanopyridine Adsorbed on Silver Nanoparticles I López-Tocón, S Valdivia, J Soto, JC Otero, F Muniz-Miranda, ... Nanomaterials 9 (9), 1211, 2019 | 39 | 2019 |
Raman and computational study of solvation and chemisorption of thiazole in silver hydrosol M Muniz-Miranda, M Pagliai, F Muniz-Miranda, V Schettino Chemical communications 47 (11), 3138-3140, 2011 | 39 | 2011 |
SERS, XPS and DFT Study of Xanthine Adsorbed on Citrate-Stabilized Gold Nanoparticles S Caporali, F Muniz-Miranda, A Pedone, M Muniz-Miranda Sensors 19, 2700, 2019 | 36 | 2019 |
SERS, XPS and DFT investigation on palladium surfaces coated with 2,2′-bipyridine monolayers M Muniz-Miranda, F Muniz-Miranda, S Caporali, N Calisi, A Pedone Applied Surface Science 457, 98–103, 2018 | 33 | 2018 |
DFT and TD-DFT Assessment of the Structural and Optoelectronic Properties of Organic-Ag14 Nanocluster F Muniz-Miranda, MC Menziani, A Pedone The Journal of Physical Chemistry A 119 (21), 5088–5098, 2015 | 33 | 2015 |
Charting the Metal-Dependent High-Pressure Stability of Bimetallic UiO-66 Materials SMJ Rogge, PG . Yot, J Jacobsen, F Muniz-Miranda, S Vandenbrande, ... ACS Materials Letters, 2020 | 32 | 2020 |
Magneto-plasmonic colloidal nanoparticles obtained by laser ablation of nickel and silver targets in water C Gellini, FL Deepak, M Muniz-Miranda, S Caporali, F Muniz-Miranda, ... The Journal of Physical Chemistry C 121 (6), 3597-3606, 2017 | 31* | 2017 |
Competitive Solvation and Chemisorption in Silver Colloidal Suspensions M Pagliai, F Muniz-Miranda, V Schettino, M Muniz-Miranda Progress in Colloid and Polymer Science 139, 39-44, 2012 | 31* | 2012 |
A general density-based index to analyze charge transfer phenomena: from models to butterfly molecules L Huet, A Perfetto, F Muniz-Miranda, M Campetella, C Adamo, I Ciofini Journal of Chemical Theory and Computation, 2020 | 30 | 2020 |
Raman and DFT study of methimazole chemisorbed on gold colloidal nanoparticles M Muniz-Miranda, F Muniz-Miranda, A Pedone Physical Chemistry Chemical Physics 18, 5974-5980, 2016 | 29 | 2016 |
Wavelet Transform for Spectroscopic Analysis: Application to Diols in Water F Muniz-Miranda, M Pagliai, G Cardini, V Schettino Journal of Chemical Theory and Computation 7 (4), 1109–1118, 2011 | 27 | 2011 |
Elucidating the Promotional Effect of a Covalent Triazine Framework in Aerobic Oxidation S Abednatanzi, PG Derakhshandeh, P Tack, F Muniz-Miranda, YY Liu, ... Applied Catalysis B: Environmental 269, 118769, 2020 | 24 | 2020 |
Spectroscopic and Microscopic Analyses of Fe3O4/Au Nanoparticles Obtained by Laser Ablation in Water M Muniz-Miranda, F Muniz-Miranda, E Giorgetti Nanomaterials 10 (1), 132, 2020 | 23 | 2020 |
Raman and Computational Study on the Adsorption of Xanthine on Silver Nanocolloids F Muniz-Miranda, A Pedone, M Muniz-Miranda ACS Omega 3 (10), pp 13530–13537, 2018 | 23 | 2018 |