Natanael de Sousa Sousa

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

Natanael de Sousa Sousa, Roberto Batista de Lima, Adilson Luís Pereira Silva et al. · Computational and Theoretical Chemistry · 2014 · 24 citations · Full text

Natural Sciences, Chemistry, Medicinal Chemistry +13

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

Natanael de Sousa Sousa, Wellington da Conceição Lobato do Nascimento, Adilson Luís Pereira Silva et al. · Sensors and Actuators A Physical · 2024 · 21 citations

Engineering, Chemistry, Materials Science +15

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

Natanael de Sousa Sousa, Adilson Luís Pereira Silva, Augusto César Azevedo Silva et al. · Journal of Nanoparticle Research · 2023 · 19 citations

Natural Sciences, Chemistry, Materials Science +17

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

Natanael de Sousa Sousa, Adilson Luís Pereira Silva, Augusto César Azevedo Silva et al. · Journal of Inorganic and Organometallic Polymers and Materials · 2024 · 11 citations

Natural Sciences, Materials Science, Physics +17

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

Natanael de Sousa Sousa, Adilson Luís Pereira Silva, Augusto César Azevedo Silva et al. · Journal of Inorganic and Organometallic Polymers and Materials · 2024 · 10 citations

Natural Sciences, Materials Science, Physics +17