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Adsorption and possible dissociation of glucose by the [BN fullerene-B6]− magnetic nanocomposite. In silico studies

Applied nanoscience, 2018-03, Vol.8 (3), p.455-465

2018

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Interactions of B12N12 fullerenes on graphene and boron nitride nanosheets: A DFT study

Journal of molecular graphics & modelling, 2019-01, Vol.86, p.27-34

2019

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Retention of carbon monoxide onto magnetic [BN fullerene: B6]− and [BN fullerene: C6]− nanocomposites

Applied physics. A, Materials science & processing, 2018-09, Vol.124 (9), p.1-17, Article 590

2018

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In-silico study of the adsorption of H2, CO and CO2 chemical species on (TiO2)n n=15–20 clusters: The (TiO2)19 case as candidate promising

Journal of molecular graphics & modelling, 2022-12, Vol.117, p.108316-108316, Article 108316

2022

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Fullerene-like boron nitride cages BxNy (x + y = 28): stabilities and electronic properties from density functional theory computation

Journal of molecular modeling, 2019-01, Vol.25 (1), p.21-14, Article 21

2019

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Non-covalent functionalization of hexagonal boron nitride nanosheets with guanine

Journal of molecular modeling, 2015-08, Vol.21 (8), p.215-215, Article 215

2015

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Chemical and Physical Viewpoints About the Bonding in Fullerene–Graphene Hybrid Materials: Interaction on Pristine and Fe-Doped Graphene

Journal of physical chemistry. C, 2019-10, Vol.123 (39), p.24209-24219

2019

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Zinc-Blende GeC Stabilized on GaN (001): An Ab Initio Study

Advances in Condensed Matter Physics, 2022-01, Vol.2022, p.1-8

2022

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Ideal strength on clusters from first principles: the Ti13 case

Nanotechnology, 2009-11, Vol.20 (46), p.465709-465709

2009

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In silico studies of the magnetic octahedral B6− cluster—nitric oxide and [B6−–NO]−–O2 interactions

Structural chemistry, 2017-12, Vol.28 (6), p.1757-1764

2017

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Porous Silicon Used for the Determination of Bacteria Concentration Based on its Metabolic Activity

SILICON, 2023-09, Vol.15 (14), p.6113-6119

2023

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Importance of the Electrolyte in Obtaining Porous Silicon and How It Modifies the Optical and Structural Proprieties: Optical and Microstructural Investigation

Journal of nanomaterials, 2015-01, Vol.2015 (2015), p.1-6

2015

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Stability, electronic and optical properties of the boron nitride cage (B47N53) from quantum mechanical calculations

Physica. E, Low-dimensional systems & nanostructures, 2019-07, Vol.111, p.118-126

2019

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Mechanical and microstructural characterization of aluminum melted with alternative method

SN applied sciences, 2020-05, Vol.2 (5), p.877, Article 877

2020

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Prediction, and physic-chemical properties of (TiO2) n = 15–20 clusters and their possible catalytic application: A DFT study

Computational materials science, 2019-05, Vol.162, p.228-235

2019

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Stability, electronic and magnetic properties of the Octagraphene-like boron nitride Nanosheets: In silico studies

Fullerenes, nanotubes, and carbon nanostructures, 2018-02, Vol.26 (2), p.93-99

2018

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Adsorption of CO and NO molecules onto pentagonal clusters of aluminum: a DFT study

Journal of molecular modeling, 2017-11, Vol.23 (12), p.332-7, Article 332

2017

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Optical, Morphological, and Structural Properties of Tablets Obtained from Porous Silicon

SILICON, 2022-08, Vol.14 (13), p.7685-7691

2022

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Effect of the electronic state of Ti on M-doped TiO2 nanoparticles (M=Zn, Ga or Ge) with high photocatalytic activities: A experimental and DFT molecular study

Materials science in semiconductor processing, 2017-02, Vol.58, p.8-14

2017

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Adsorption of chemical species onto nanographenes, pristine coronene and anchored systems as coronene−(TiO2)n n=1–4: Insights from ab initio molecular dynamics calculations

Chemical physics impact, 2024-06, Vol.8, p.100473, Article 100473

2024

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Influence of doping on chain-like TiO2 clusters: A DFT study

Current Applied Physics, 2016, 16(2), , pp.197-206

2016

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Cun Clusters (n = 13, 43, and 55) as Possible Degradant Agents of mSF6 Molecules (m = 1, 2): A DFT Study

ACS omega, 2022-09, Vol.7 (38), p.34401-34411

2022

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Electronic Properties of Boron Nitride Oxide Nanoclusters

Journal of nanoscience and nanotechnology, 2011-06, Vol.11 (6), p.5515-5518

2011

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Quantum molecular study on doping effect in titanium and vanadium clusters: their application to remove some chemical species

Applied nanoscience, 2020-01, Vol.10 (1), p.37-49

2020

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Ideal strength on clusters from first principles: the Ti 13 case

Nanotechnology, 2009-11, Vol.20 (46), p.465709

2009

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Adsorption and possible dissociation of glucose by the [BN fullerene-B6]− magnetic nanocomposite. In silico studies

Interactions of B12N12 fullerenes on graphene and boron nitride nanosheets: A DFT study

Retention of carbon monoxide onto magnetic [BN fullerene: B6]− and [BN fullerene: C6]− nanocomposites

In-silico study of the adsorption of H2, CO and CO2 chemical species on (TiO2)n n=15–20 clusters: The (TiO2)19 case as candidate promising

Fullerene-like boron nitride cages BxNy (x + y = 28): stabilities and electronic properties from density functional theory computation

Non-covalent functionalization of hexagonal boron nitride nanosheets with guanine

Chemical and Physical Viewpoints About the Bonding in Fullerene–Graphene Hybrid Materials: Interaction on Pristine and Fe-Doped Graphene

Zinc-Blende GeC Stabilized on GaN (001): An Ab Initio Study

Ideal strength on clusters from first principles: the Ti13 case

In silico studies of the magnetic octahedral B6− cluster—nitric oxide and [B6−–NO]−–O2 interactions

Porous Silicon Used for the Determination of Bacteria Concentration Based on its Metabolic Activity

Importance of the Electrolyte in Obtaining Porous Silicon and How It Modifies the Optical and Structural Proprieties: Optical and Microstructural Investigation

Stability, electronic and optical properties of the boron nitride cage (B47N53) from quantum mechanical calculations

Mechanical and microstructural characterization of aluminum melted with alternative method

Prediction, and physic-chemical properties of (TiO2) n = 15–20 clusters and their possible catalytic application: A DFT study

Stability, electronic and magnetic properties of the Octagraphene-like boron nitride Nanosheets: In silico studies

Adsorption of CO and NO molecules onto pentagonal clusters of aluminum: a DFT study

Optical, Morphological, and Structural Properties of Tablets Obtained from Porous Silicon

Effect of the electronic state of Ti on M-doped TiO2 nanoparticles (M=Zn, Ga or Ge) with high photocatalytic activities: A experimental and DFT molecular study

Adsorption of chemical species onto nanographenes, pristine coronene and anchored systems as coronene−(TiO2)n n=1–4: Insights from ab initio molecular dynamics calculations

Influence of doping on chain-like TiO2 clusters: A DFT study

Cun Clusters (n = 13, 43, and 55) as Possible Degradant Agents of mSF6 Molecules (m = 1, 2): A DFT Study

Electronic Properties of Boron Nitride Oxide Nanoclusters

Quantum molecular study on doping effect in titanium and vanadium clusters: their application to remove some chemical species

Ideal strength on clusters from first principles: the Ti 13 case

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