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Blueshift of the CN stretching vibration of acetonitrile in solution: computational and experimental study

Journal of computational chemistry, 2024-10, Vol.45 (28), p.2352-2359

2024

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Mechanochromic LLDPE Films Doped with NIR Reflective Paliogen Black

Macromolecular rapid communications., 2021-01, Vol.42 (1), p.e2000426-n/a

2021

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Electronic properties of heterogenized Ru( ii ) polypyridyl photoredox complexes on covalent triazine frameworks

Journal of materials chemistry. A, Materials for energy and sustainability, 2019, Vol.7 (14), p.8433-8442

2019

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SERS, XPS and DFT Study of Xanthine Adsorbed on Citrate-Stabilized Gold Nanoparticles

Sensors (Basel, Switzerland), 2019-06, Vol.19 (12), p.2700

2019

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Can DFT Calculations Provide Useful Information for SERS Applications?

Molecules (Basel, Switzerland), 2023-01, Vol.28 (2), p.573

2023

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Quantum-Chemistry Study of the Hydrolysis Reaction Profile in Borate Networks: A Benchmark

Molecules (Basel, Switzerland), 2024-03, Vol.29 (6), p.1227

2024

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Computational Approaches to the Electronic Properties of Noble Metal Nanoclusters Protected by Organic Ligands

Nanomaterials (Basel, Switzerland), 2021-09, Vol.11 (9), p.2409

MUNIZ-MIRANDA, Francesco

2021

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Trapping an unprecedented octacoordinated iron() complex with neutral bis-tetrazolylpyridyl ligands and solvent molecules

Dalton transactions : an international journal of inorganic chemistry, 2024-02, Vol.53 (8), p.349-3498

2024

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Immobilization of Ir(I) complex on covalent triazine frameworks for C H borylation reactions: A combined experimental and computational study

Journal of catalysis, 2019-03, Vol.371, p.135-143

2019

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Spectroscopic and Microscopic Analyses of Fe3O4/Au Nanoparticles Obtained by Laser Ablation in Water

Nanomaterials (Basel, Switzerland), 2020-01, Vol.10 (1), p.132

2020

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SERS and DFT study of copper surfaces coated with corrosion inhibitor

Beilstein journal of nanotechnology, 2014-12, Vol.5 (1), p.2489-2497

2014

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Supercritical CO2 Confined in Palygorskite and Sepiolite Minerals: A Classical Molecular Dynamics Investigation

Journal of physical chemistry. C, 2016-12, Vol.120 (47), p.26945-26954

2016

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Raman and Computational Study on the Adsorption of Xanthine on Silver Nanocolloids

ACS omega, 2018-10, Vol.3 (10), p.13530-13537

2018

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Raman and computational study of solvation and chemisorption of thiazole in silver hydrosol

Chemical communications (Cambridge, England), 2011-01, Vol.47 (11), p.3138-3140

2011

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On the opto-electronic properties of phosphine and thiolate-protected undecagold nanoclusters

Physical chemistry chemical physics : PCCP, 2014-01, Vol.16 (35), p.18749-18758

2014

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DFT and TD-DFT Study of the Chemical Effect in the SERS Spectra of Piperidine Adsorbed on Silver Colloidal Nanoparticles

Nanomaterials (Basel, Switzerland), 2022-08, Vol.12 (17), p.2907

2022

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A DFT Approach to the Surface-Enhanced Raman Scattering of 4-Cyanopyridine Adsorbed on Silver Nanoparticles

Nanomaterials (Basel, Switzerland), 2019-08, Vol.9 (9), p.1211

2019

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SERS active Ag–SiO2 nanoparticles obtained by laser ablation of silver in colloidal silica

Beilstein journal of nanotechnology, 2018, Vol.9 (1), p.2396-2404

2018

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Arylsulfonyl Groups: The Best Cyclization Auxiliaries for the Preparation of ATRC γ-Lactams can be Acidolytically Removed

European journal of organic chemistry, 2014-10, Vol.2014 (30), p.6734-6745

2014

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Elucidation of the pre-nucleation phase directing metal-organic framework formation

Cell reports physical science, 2021-12, Vol.2 (12), p.100680, Article 100680

2021

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SERS and DFT investigation on push‐pull molecules: 4‐Dimethylamino‐ 4’‐nitrostilbene adsorbed on silver colloidal nanoparticles

ChemistrySelect (Weinheim), 2018-08, Vol.3 (30), p.8698-8702

2018

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Aggregation Effects on Pigment Coatings: Pigment Red 179 as a Case Study

ACS omega, 2019-12, Vol.4 (23), p.20315-20323

2019

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The Effect of Alkaline Cations on the Intercalation of Carbon Dioxide in Sepiolite Minerals: A Molecular Dynamics Investigation

Frontiers in materials, 2018-03, Vol.5

2018

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Modelling of spectroscopic and structural properties using molecular dynamics

Muniz Miranda, Francesco

2014

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Structural Properties of a Membrane Associated Anchor Dipeptide

The journal of physical chemistry. B, 2011-05, Vol.115 (18), p.5294-5303

2011

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Blueshift of the CN stretching vibration of acetonitrile in solution: computational and experimental study

Mechanochromic LLDPE Films Doped with NIR Reflective Paliogen Black

Electronic properties of heterogenized Ru( ii ) polypyridyl photoredox complexes on covalent triazine frameworks

SERS, XPS and DFT Study of Xanthine Adsorbed on Citrate-Stabilized Gold Nanoparticles

Can DFT Calculations Provide Useful Information for SERS Applications?

Quantum-Chemistry Study of the Hydrolysis Reaction Profile in Borate Networks: A Benchmark

Computational Approaches to the Electronic Properties of Noble Metal Nanoclusters Protected by Organic Ligands

Trapping an unprecedented octacoordinated iron() complex with neutral bis-tetrazolylpyridyl ligands and solvent molecules

Immobilization of Ir(I) complex on covalent triazine frameworks for C H borylation reactions: A combined experimental and computational study

Spectroscopic and Microscopic Analyses of Fe3O4/Au Nanoparticles Obtained by Laser Ablation in Water

SERS and DFT study of copper surfaces coated with corrosion inhibitor

Supercritical CO2 Confined in Palygorskite and Sepiolite Minerals: A Classical Molecular Dynamics Investigation

Raman and Computational Study on the Adsorption of Xanthine on Silver Nanocolloids

Raman and computational study of solvation and chemisorption of thiazole in silver hydrosol

On the opto-electronic properties of phosphine and thiolate-protected undecagold nanoclusters

DFT and TD-DFT Study of the Chemical Effect in the SERS Spectra of Piperidine Adsorbed on Silver Colloidal Nanoparticles

A DFT Approach to the Surface-Enhanced Raman Scattering of 4-Cyanopyridine Adsorbed on Silver Nanoparticles

SERS active Ag–SiO2 nanoparticles obtained by laser ablation of silver in colloidal silica

Arylsulfonyl Groups: The Best Cyclization Auxiliaries for the Preparation of ATRC γ-Lactams can be Acidolytically Removed

Elucidation of the pre-nucleation phase directing metal-organic framework formation

SERS and DFT investigation on push‐pull molecules: 4‐Dimethylamino‐ 4’‐nitrostilbene adsorbed on silver colloidal nanoparticles

Aggregation Effects on Pigment Coatings: Pigment Red 179 as a Case Study

The Effect of Alkaline Cations on the Intercalation of Carbon Dioxide in Sepiolite Minerals: A Molecular Dynamics Investigation

Modelling of spectroscopic and structural properties using molecular dynamics

Structural Properties of a Membrane Associated Anchor Dipeptide

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