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2D boron nitride incorporating homonuclear boron bonds: stabilized in neutral, anionic and cationic charge

SN applied sciences, 2022-11, Vol.4 (11), p.1-8, Article 295

Anota, Ernesto Chigo

2022

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Insights on α‐Glucose Biosensors/Carriers Based on Boron‐Nitride Nanomaterials from an Atomistic and Electronic Point of View

Chemphyschem, 2022-12, Vol.23 (24), p.e202200310-n/a

2022

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Exploring the potential use of pristine and metal-encapsulated B36N36 fullerenes in delivery of β-lapachone anticancer drug: DFT approach

Polyhedron, 2023-03, Vol.232, p.116295, Article 116295

2023

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A density functional theory analysis for the adsorption of the amine group on graphene and boron nitride nanosheets

Journal of molecular modeling, 2013-01, Vol.19 (1), p.321-328

2013

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Effect of homonuclear boron bonds in the adsorption of DNA nucleobases on boron nitride nanosheets

Journal of molecular liquids, 2021-01, Vol.322, p.114951, Article 114951

2021

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The Al, Ga and Sc dopants effect on the adsorption performance of B12N12 nanocluster toward pnictogen hydrides

Chemical physics, 2019-10, Vol.526, p.110424, Article 110424

2019

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A theoretical perspective on the adsorption performance of pristine and Metal-encapsulated B36N36 fullerenes toward the hydroxyurea and nitrosourea anticancer drugs

Inorganic chemistry communications, 2023-02, Vol.148, p.110326, Article 110326

2023

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DFT studies of the phenol adsorption on boron nitride sheets

Journal of molecular modeling, 2012-01, Vol.18 (1), p.137-144

2012

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Acetylsalicylic acid interaction with Boron nitride nanostructures – A density functional analysis

Journal of molecular liquids, 2022-06, Vol.355, p.118980, Article 118980

2022

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Quantum-mechanical assessment of the adsorption of nitric oxide molecules on the magnetic carbon nitride (C36N24)− fullerene

Structural chemistry, 2021-10, Vol.32 (5), p.1775-1786

2021

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Effect of global charge on stability and electronic properties of B36N36 cage and isomers

Physica. E, Low-dimensional systems & nanostructures, 2023-08, Vol.152, p.115758, Article 115758

2023

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Understanding of the Effect of the Adsorption of Atom and Cluster Silver on Chitosan: An In Silico Analysis

Molecules (Basel, Switzerland), 2023-08, Vol.28 (15), p.5809

2023

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Ibuprofen Photodegradation by Ag2O and Ag/Ag2O Composites Under Simulated Visible Light Irradiation

Catalysis letters, 2020-08, Vol.150 (8), p.2385-2399

2020

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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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The antioxidant capacity of an imidazole alkaloids family through single-electron transfer reactions

Journal of molecular modeling, 2020-11, Vol.26 (11), p.321-321, Article 321

2020

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GGA-based analysis of the metformin adsorption on BN nanotubes

Physica. E, Low-dimensional systems & nanostructures, 2014-02, Vol.56, p.134-140

2014

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Density functional theory study of lithium and fluoride doped boron nitride sheet

Physica status solidi. C, 2010-10, Vol.7 (10), p.2559-2561

2010

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Armchair Boron Nitride nanotubes—heterocyclic molecules interactions: A computational description

Open Chemistry, 2015-01, Vol.13 (1)

2015

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Tuning the electronic‐optical properties of porphyrin‐like porous C24N24 fullerene with (Li3O)n = (1–5) decoration. A computational study

Applied organometallic chemistry, 2019-01, Vol.33 (1), p.n/a

2019

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Structural and Physicochemical Properties of Carbon Doped Boron Nitride Fullerenes: Effect of Doping Level and Atomic Arrangement

Advanced theory and simulations, 2024-03, Vol.7 (3)

2024

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Structural Stability and Electronic Properties of Boron Phosphide Nanotubes: A Density Functional Theory Perspective

Symmetry (Basel), 2022-05, Vol.14 (5), p.964

2022

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On the influence of point defects on the structural and electronic properties of graphene-like sheets: a molecular simulation study

Journal of molecular modeling, 2013-02, Vol.19 (2), p.839-846

2013

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A Comparative Study of Gold Impregnation Methods for Obtaining Metal/Semiconductor Nanophotocatalysts: Direct Turkevich, Inverse Turkevich, and Progressive Heating Methods

Catalysts, 2018-04, Vol.8 (4), p.161

2018

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On the electronic properties of two-dimensional honeycomb GaInN and GaAlN alloys: a molecular analysis

Journal of molecular modeling, 2012-02, Vol.18 (2), p.591-596

2012

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Influencia de la geometría y dopaje en las propiedades electrónicas de la hoja SiC

Revista mexicana de física, 2011-08, Vol.57 (4), p.309-314

Chigo Anota, Ernesto

2011

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2D boron nitride incorporating homonuclear boron bonds: stabilized in neutral, anionic and cationic charge

Insights on α‐Glucose Biosensors/Carriers Based on Boron‐Nitride Nanomaterials from an Atomistic and Electronic Point of View

Exploring the potential use of pristine and metal-encapsulated B36N36 fullerenes in delivery of β-lapachone anticancer drug: DFT approach

A density functional theory analysis for the adsorption of the amine group on graphene and boron nitride nanosheets

Effect of homonuclear boron bonds in the adsorption of DNA nucleobases on boron nitride nanosheets

The Al, Ga and Sc dopants effect on the adsorption performance of B12N12 nanocluster toward pnictogen hydrides

A theoretical perspective on the adsorption performance of pristine and Metal-encapsulated B36N36 fullerenes toward the hydroxyurea and nitrosourea anticancer drugs

DFT studies of the phenol adsorption on boron nitride sheets

Acetylsalicylic acid interaction with Boron nitride nanostructures – A density functional analysis

Quantum-mechanical assessment of the adsorption of nitric oxide molecules on the magnetic carbon nitride (C36N24)− fullerene

Effect of global charge on stability and electronic properties of B36N36 cage and isomers

Understanding of the Effect of the Adsorption of Atom and Cluster Silver on Chitosan: An In Silico Analysis

Ibuprofen Photodegradation by Ag2O and Ag/Ag2O Composites Under Simulated Visible Light Irradiation

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

The antioxidant capacity of an imidazole alkaloids family through single-electron transfer reactions

GGA-based analysis of the metformin adsorption on BN nanotubes

Density functional theory study of lithium and fluoride doped boron nitride sheet

Armchair Boron Nitride nanotubes—heterocyclic molecules interactions: A computational description

Tuning the electronic‐optical properties of porphyrin‐like porous C24N24 fullerene with (Li3O)n = (1–5) decoration. A computational study

Structural and Physicochemical Properties of Carbon Doped Boron Nitride Fullerenes: Effect of Doping Level and Atomic Arrangement

Structural Stability and Electronic Properties of Boron Phosphide Nanotubes: A Density Functional Theory Perspective

On the influence of point defects on the structural and electronic properties of graphene-like sheets: a molecular simulation study

A Comparative Study of Gold Impregnation Methods for Obtaining Metal/Semiconductor Nanophotocatalysts: Direct Turkevich, Inverse Turkevich, and Progressive Heating Methods

On the electronic properties of two-dimensional honeycomb GaInN and GaAlN alloys: a molecular analysis

Influencia de la geometría y dopaje en las propiedades electrónicas de la hoja SiC

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