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Carbon monoxide interaction with B12N12 nanocage with and without an external electric field: a DFT study

Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology, 2022-01, Vol.24 (1), Article 1

2022

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A detailed theoretical study of the low-energy structures of Au–Ag bimetallic clusters

Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology, 2022-03, Vol.24 (3), Article 46

2022

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Detection of cadaverine and putrescine on (10,0) carbon, boron nitride and gallium nitride nanotubes: a density functional theory study

New journal of chemistry, 2022-11, Vol.46 (43), p.2729-2736

2022

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Theoretical study of putrescine and X12Y12 (X=Al, B and Y=N, P) nanocage interactions

Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology, 2021-04, Vol.23 (4), Article 108

2021

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Theoretical study of the effects of substituents (F, Cl, Br, CH3, and CN) on the aromaticity of borazine

Journal of molecular modeling, 2018-01, Vol.24 (1), p.34-11, Article 34

2018

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Density Functional Theory Study of Cu-Modified B12N12 Nanocage as a Chemical Sensor for Carbon Monoxide Gas

Inorganic chemistry, 2023-02, Vol.62 (5), p.1926-1934

2023

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Putrescine adsorption on pristine and Cu-decorated B12N12 nanocages: A density functional theory study

Computational and theoretical chemistry, 2022-09, Vol.1215, p.113836, Article 113836

2022

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Theoretical study of the interaction between molecular oxygen and tetraaza macrocyclic manganese complexes

Journal of molecular modeling, 2016-09, Vol.22 (9), p.217-10, Article 217

2016

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Density functional theory study of interactions between carbon monoxide and iron tetraaza macrocyclic complexes, FeTXTAA (X = −Cl, −OH, −OCH3, −NH2, and –NO2)

Journal of molecular modeling, 2017-02, Vol.23 (2), p.64-7, Article 64

2017

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MB11N12 (M = Fe–Zn) Nanocages for Cyanogen Chloride Detection: A DFT Study

Journal of inorganic and organometallic polymers and materials, 2024, Vol.34 (1), p.302-312

2024

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DFT Analysis of Dynamic, Charge, and TD-DFT Properties of Doped, Encapsulated, and Decorated First-Row Transition Metals on B12N12 Nanocage: Part 2

Journal of inorganic and organometallic polymers and materials, 2024, Vol.34 (8), p.3576-3588

2024

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Theoretical studies with B12N12 as a toxic gas sensor: a review

Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology, 2023, Vol.25 (1), p.22, Article 22

2023

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Theoretical study of dibenzotetraaza[14]annulene complexes with first row transition metals

Computational and theoretical chemistry, 2015-02, Vol.1054, p.93-99

2015

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Cu-modified B12N12 nanocage as a chemical sensor for nitrogen monoxide gas: a density functional theory study

Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology, 2023-12, Vol.25 (12), p.248, Article 248

2023

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CO bonding in FeN4 complexes and the effect of the macrocycle ligand: A DFT study

Polyhedron, 2014-01, Vol.67, p.36-43

2014

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Density Functional Theory Study of Cu-Modified B 12 N 12 Nanocage as a Chemical Sensor for Carbon Monoxide Gas

Inorganic chemistry, 2023-02, Vol.62 (5), p.1926-1934

2023

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DFT Analysis of Structural, Energetic and Electronic Properties of Doped, Encapsulated, and Decorated First-Row Transition Metals on B12N12 Nanocage: Part 1

Journal of inorganic and organometallic polymers and materials, 2024-04

2024

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Quantum chemical DFT study of the interaction between molecular oxygen and FeN4 complexes, and effect of the macrocyclic ligand

Journal of molecular modeling, 2014-03, Vol.20 (3), p.2131-2131, Article 2131

2014

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DFT study of TM (Sc – Zn) modified B12N12 nanocage as sensor for N2O gas selective detection

Sensors and actuators. A. Physical., 2024-11, Vol.378, p.115841, Article 115841

2024

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A Detailed Theoretical Study of Cu3Agm Bimetallic Clusters

Orbital : The Electronic Journal of Chemistry, 2021-04, Vol.13 (3), p.212-218

2021

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Contextualização e experimentação na revista química nova na escola: uma análise de 2009-2016

Revista brasileira de ensino de ciência e tecnologia, 2019-08, Vol.12 (2)

2019

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Contextualization and experimentation in the journal “química nova na escola”: an analyses of the editions from 2009 to 2016

Revista brasileira de ensino de ciência e tecnologia, 2019-08, Vol.12 (2)

2019

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O ensino de ciências por investigação nos anos iniciais do ensino fundamental

Cuadernos de educación y desarrollo, 2023-10, Vol.15 (10), p.11862-11887

2023

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Corrosão no ensino de Química: uma análise dos artigos publicados em Química Nova na Escola

Química nova na escola, 2020-11, Vol.42 (4)

2020

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A Detailed Theoretical Study of Cu3Agm Bimetallic Clusters

Orbital : The Electronic Journal of Chemistry, 2021-07, Vol.13 (3)

2021

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Carbon monoxide interaction with B12N12 nanocage with and without an external electric field: a DFT study

A detailed theoretical study of the low-energy structures of Au–Ag bimetallic clusters

Detection of cadaverine and putrescine on (10,0) carbon, boron nitride and gallium nitride nanotubes: a density functional theory study

Theoretical study of putrescine and X12Y12 (X=Al, B and Y=N, P) nanocage interactions

Theoretical study of the effects of substituents (F, Cl, Br, CH3, and CN) on the aromaticity of borazine

Density Functional Theory Study of Cu-Modified B12N12 Nanocage as a Chemical Sensor for Carbon Monoxide Gas

Putrescine adsorption on pristine and Cu-decorated B12N12 nanocages: A density functional theory study

Theoretical study of the interaction between molecular oxygen and tetraaza macrocyclic manganese complexes

Density functional theory study of interactions between carbon monoxide and iron tetraaza macrocyclic complexes, FeTXTAA (X = −Cl, −OH, −OCH3, −NH2, and –NO2)

MB11N12 (M = Fe–Zn) Nanocages for Cyanogen Chloride Detection: A DFT Study

DFT Analysis of Dynamic, Charge, and TD-DFT Properties of Doped, Encapsulated, and Decorated First-Row Transition Metals on B12N12 Nanocage: Part 2

Theoretical studies with B12N12 as a toxic gas sensor: a review

Theoretical study of dibenzotetraaza[14]annulene complexes with first row transition metals

Cu-modified B12N12 nanocage as a chemical sensor for nitrogen monoxide gas: a density functional theory study

CO bonding in FeN4 complexes and the effect of the macrocycle ligand: A DFT study

Density Functional Theory Study of Cu-Modified B 12 N 12 Nanocage as a Chemical Sensor for Carbon Monoxide Gas

DFT Analysis of Structural, Energetic and Electronic Properties of Doped, Encapsulated, and Decorated First-Row Transition Metals on B12N12 Nanocage: Part 1

Quantum chemical DFT study of the interaction between molecular oxygen and FeN4 complexes, and effect of the macrocyclic ligand

DFT study of TM (Sc – Zn) modified B12N12 nanocage as sensor for N2O gas selective detection

A Detailed Theoretical Study of Cu3Agm Bimetallic Clusters

Contextualização e experimentação na revista química nova na escola: uma análise de 2009-2016

Contextualization and experimentation in the journal “química nova na escola”: an analyses of the editions from 2009 to 2016

O ensino de ciências por investigação nos anos iniciais do ensino fundamental

Corrosão no ensino de Química: uma análise dos artigos publicados em Química Nova na Escola

A Detailed Theoretical Study of Cu3Agm Bimetallic Clusters

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