Publications by authors named "Francesco Muniz-Miranda"

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Structure and Energetics of PET-Hydrolyzing Enzyme Complexes: A Systematic Comparison from Molecular Dynamics Simulations.
Alessandro Berselli, Maria Cristina Menziani, Francesco Muniz-Miranda

J Chem Inf Model· November 2024

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Blueshift of the CN stretching vibration of acetonitrile in solution: computational and experimental study.
Francesco Muniz-Miranda, Alfonso Pedone, Maria Cristina Menziani

J Comput Chem· October 2024

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Iron nuclearity in mineral fibres: Unravelling the catalytic activity for predictive modelling of toxicity.
Alessandro F Gualtieri, Marina Cocchi, Francesco Muniz-Miranda, Alfonso Pedone, Elena Castellini

J Hazard Mater· May 2024

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Quantum-Chemistry Study of the Hydrolysis Reaction Profile in Borate Networks: A Benchmark.
Francesco Muniz-Miranda, Leonardo Occhi, Francesco Fontanive, Maria Cristina Menziani, Alfonso Pedone

Molecules· March 2024

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Trapping an unprecedented octacoordinated iron(II) complex with neutral bis-tetrazolylpyridyl ligands and solvent molecules.
Luca Rigamonti, Lorenzo Marchi, Valentina Fiorini, Stefano Stagni, Stefano Zacchini

Dalton Trans· February 2024

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Can DFT Calculations Provide Useful Information for SERS Applications?
Maurizio Muniz-Miranda, Francesco Muniz-Miranda, Maria Cristina Menziani, Alfonso Pedone

Molecules· January 2023

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DFT and TD-DFT Study of the Chemical Effect in the SERS Spectra of Piperidine Adsorbed on Silver Colloidal Nanoparticles.
Francesco Muniz-Miranda, Alfonso Pedone, Maria Cristina Menziani, Maurizio Muniz-Miranda

Nanomaterials (Basel)· August 2022

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Ephemeral ice-like local environments in classical rigid models of liquid water.
Riccardo Capelli, Francesco Muniz-Miranda, Giovanni M Pavan

J Chem Phys· June 2022

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Computational Approaches to the Electronic Properties of Noble Metal Nanoclusters Protected by Organic Ligands.
Francesco Muniz-Miranda

Nanomaterials (Basel)· September 2021

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Mechanochromic LLDPE Films Doped with NIR Reflective Paliogen Black.
Cosimo Micheletti, Pierpaolo Minei, Marco Carlotti, Virgilio Mattoli, Francesco Muniz-Miranda

Macromol Rapid Commun· January 2021

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General Density-Based Index to Analyze Charge Transfer Phenomena: From Models to Butterfly Molecules.
Léon Huet, Anna Perfetto, Francesco Muniz-Miranda, Marco Campetella, Carlo Adamo

J Chem Theory Comput· July 2020

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Charting the Metal-Dependent High-Pressure Stability of Bimetallic UiO-66 Materials.
Sven M J Rogge, Pascal G Yot, Jannick Jacobsen, Francesco Muniz-Miranda, Steven Vandenbrande

ACS Mater Lett· April 2020

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Spectroscopic and Microscopic Analyses of FeO/Au Nanoparticles Obtained by Laser Ablation in Water.
Maurizio Muniz-Miranda, Francesco Muniz-Miranda, Emilia Giorgetti

Nanomaterials (Basel)· January 2020

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Aggregation Effects on Pigment Coatings: Pigment Red 179 as a Case Study.
Francesco Muniz-Miranda, Pierpaolo Minei, Luca Contiero, Frédéric Labat, Ilaria Ciofini

ACS Omega· December 2019

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Optical Properties of Isolated and Covalent Organic Framework-Embedded Ruthenium Complexes.
Francesco Muniz-Miranda, Liesbeth De Bruecker, Arthur De Vos, Flore Vanden Bussche, Christian V Stevens

J Phys Chem A· August 2019

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A DFT Approach to the Surface-Enhanced Raman Scattering of 4-Cyanopyridine Adsorbed on Silver Nanoparticles.
Isabel López-Tocón, Samuel Valdivia, Juan Soto, Juan Carlos Otero, Francesco Muniz-Miranda, Maurizio Muniz-Miranda

Nanomaterials (Basel)· August 2019

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SERS, XPS and DFT Study of Xanthine Adsorbed on Citrate-Stabilized Gold Nanoparticles.
Stefano Caporali, Francesco Muniz-Miranda, Alfonso Pedone, Maurizio Muniz-Miranda

Sensors (Basel)· June 2019

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Raman and Computational Study on the Adsorption of Xanthine on Silver Nanocolloids.
Francesco Muniz-Miranda, Alfonso Pedone, Maurizio Muniz-Miranda

ACS Omega· October 2018

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SERS active Ag-SiO nanoparticles obtained by laser ablation of silver in colloidal silica.
Cristina Gellini, Francesco Muniz-Miranda, Alfonso Pedone, Maurizio Muniz-Miranda

Beilstein J Nanotechnol· September 2018

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Spectroscopic and DFT investigation on the photo-chemical properties of a push-pull chromophore: 4-Dimethylamino-4'-nitrostilbene.
Francesco Muniz-Miranda, Alfonso Pedone, Maurizio Muniz-Miranda

Spectrochim Acta A Mol Biomol Spectrosc· February 2018

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Raman and DFT study of methimazole chemisorbed on gold colloidal nanoparticles.
Maurizio Muniz-Miranda, Francesco Muniz-Miranda, Alfonso Pedone

Phys Chem Chem Phys· February 2016

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Benchmarking TD-DFT against Vibrationally Resolved Absorption Spectra at Room Temperature: 7-Aminocoumarins as Test Cases.
Francesco Muniz-Miranda, Alfonso Pedone, Giulia Battistelli, Marco Montalti, Julien Bloino

J Chem Theory Comput· November 2015

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DFT and TD-DFT assessment of the structural and optoelectronic properties of an organic-Ag14 nanocluster.
Francesco Muniz-Miranda, Maria Cristina Menziani, Alfonso Pedone

J Phys Chem A· May 2015

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SERS and DFT study of copper surfaces coated with corrosion inhibitor.
Maurizio Muniz-Miranda, Francesco Muniz-Miranda, Stefano Caporali

Beilstein J Nanotechnol· February 2015

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On the opto-electronic properties of phosphine and thiolate-protected undecagold nanoclusters.
Francesco Muniz-Miranda, Maria Cristina Menziani, Alfonso Pedone

Phys Chem Chem Phys· September 2014

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