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المؤلفون: Andréa de Lima Ferreira Novais, T. Andrade-Filho, Aldimar Machado Rodrigues, Valdyster Shirley Santos Duarte, Erico Raimundo Pereira de Novais, Divanizia N. Souza, Glaura Caroena Azevedo de Oliveira
المصدر: Structural Chemistry. 32:1589-1595
مصطلحات موضوعية: Condensed matter physics, 010405 organic chemistry, Chemistry, Band gap, chemistry.chemical_element, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Molecular electronic transition, 0104 chemical sciences, Amorphous solid, Bismuth, chemistry.chemical_compound, Atomic orbital, First principle, Density functional theory, Physical and Theoretical Chemistry, Calcium borate
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المؤلفون: N.M.L. Gester, T.A. da Silva, J.D. Oliveira, R.I.S. Santos, M.R.S. Siqueira, E.P. Boscheto, R. Gester, T. Andrade-Filho, J.L.P. Siqueira
المصدر: Computational and Theoretical Chemistry. 1221:114055
مصطلحات موضوعية: Physical and Theoretical Chemistry, Condensed Matter Physics, Biochemistry
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3
المؤلفون: Rodrigo Gester, A. M. Rodrigues, Andrey Moacir do Rosário Marinho, T. Andrade-Filho, A. R. Palheta-Júnior, Mayra Pinheiro, A. M. J. Chaves-Neto
المصدر: Journal of Nanostructure in Chemistry. 11:203-213
مصطلحات موضوعية: Nanotube, Materials science, Nanochemistry, Spilanthol, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, Condensed Matter::Materials Science, chemistry.chemical_compound, chemistry, Physisorption, Chemical engineering, Chemisorption, Boron nitride, Silicon carbide, Molecule, 0210 nano-technology
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المؤلفون: Simone S. Silva, Antonio R. da Cunha, Andrey Moacir do Rosário Marinho, Mayra Pinheiro, T. Andrade-Filho, Rodrigo Gester
المصدر: Structural Chemistry. 31:2281-2292
مصطلحات موضوعية: Coupling constant, 010405 organic chemistry, Enthalpy, Spilanthol, Dielectric, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, 0104 chemical sciences, Gibbs free energy, Solvent, symbols.namesake, chemistry.chemical_compound, chemistry, Computational chemistry, symbols, Molecule, Physics::Chemical Physics, Physical and Theoretical Chemistry, Solvent effects
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المؤلفون: Dipankar Bain, Vinícius Manzoni, T. Andrade-Filho, Manoel L. da Silva-Neto, Amitava Patra, Cid B. de Araújo, Renato Barbosa-Silva, Lucas Modesto-Costa
المصدر: The Journal of Physical Chemistry C. 124:15440-15447
مصطلحات موضوعية: Potential well, Materials science, Scattering, Point reflection, Hyperpolarizability, Second-harmonic generation, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Molecular physics, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Nanoclusters, General Energy, Density functional theory, Physical and Theoretical Chemistry, 0210 nano-technology, Order of magnitude
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المساهمون: UNIFESSPA, Universidade Estadual Paulista (UNESP), UFMA, UFAL
المصدر: Scopus
Repositório Institucional da UNESP
Universidade Estadual Paulista (UNESP)
instacron:UNESPمصطلحات موضوعية: Materials science, Pyrazine, General Physics and Astronomy, Context (language use), Conjugated system, Chromophore, NLO, DFT, chemistry.chemical_compound, chemistry, Computational chemistry, Optical materials, Density functional theory, Physical and Theoretical Chemistry, Reactivity descriptors
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::14a50ff929e7dedfc7b93ac3a8dfdc4a
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المؤلفون: Rodrigo Gester, Stanislav R. Stoyanov, T. Andrade-Filho, Hugo A. de Souza Freitas, Rodrigo G. Amorim, Antonio Maia de Jesus Chaves Neto, Alexandre Reily Rocha, Francisco F. de Sousa
المساهمون: Universidade Federal do Sul e Sudeste do Pará, Universidade Federal do Pará (UFPA), Universidade Federal Fluminense (UFF), CanmetENERGY Devon, Universidade Estadual Paulista (UNESP)
المصدر: Scopus
Repositório Institucional da UNESP
Universidade Estadual Paulista (UNESP)
instacron:UNESPمصطلحات موضوعية: Materials science, Band gap, Peptide system, Tryptophan, DFTB, Nanotechnology, Electronic structure, Tunable band gap, Condensed Matter Physics, Confined water, Stacking interactions, Atomic and Molecular Physics, and Optics, Electronic, Optical and Magnetic Materials, Self assembled, Organic semiconductor, Peptide Nanotubes, Molecule
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::df05b1d08a6fe55e98415de53a25f6e1
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المصدر: Optical Materials. 94:152-159
مصطلحات موضوعية: Materials science, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Spectral line, Inorganic Chemistry, chemistry.chemical_compound, Bathochromic shift, Methyl orange, Molecule, Electrical and Electronic Engineering, Physical and Theoretical Chemistry, Spectroscopy, business.industry, Organic Chemistry, 021001 nanoscience & nanotechnology, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, Electronic, Optical and Magnetic Materials, Solvent, Molecular geometry, chemistry, Physical chemistry, Photonics, Solvent effects, 0210 nano-technology, business
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9
المؤلفون: T. Andrade-Filho, Rodrigo Gester, M. V. S. Camara, D. A. Silva-Alves, A. M. J. Chaves-Neto
المصدر: Theoretical Chemistry Accounts. 139
مصطلحات موضوعية: Materials science, Graphene, law.invention, symbols.namesake, chemistry.chemical_compound, Adsorption, chemistry, Chemical physics, law, symbols, Molecule, Density functional theory, Inorganic materials, Physical and Theoretical Chemistry, van der Waals force, Diphenylalanine, Adsorption energy
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المؤلفون: Antonio Maia de Jesus Chaves Neto, T. Andrade-Filho, Abel F. G. Neto, Klaus Cozzolino, Gustavo F. Reis, Edimilson dos Santos Moraes, Jorddy Neves Cruz
المصدر: Journal of Molecular Modeling. 26
مصطلحات موضوعية: Thermal equilibrium, Canonical ensemble, Materials science, 010304 chemical physics, Organic Chemistry, Enthalpy, Thermodynamics, 010402 general chemistry, Combustion, 01 natural sciences, Catalysis, 0104 chemical sciences, Computer Science Applications, Gibbs free energy, Inorganic Chemistry, Entropy (classical thermodynamics), symbols.namesake, Computational Theory and Mathematics, Palm kernel, 0103 physical sciences, symbols, Density functional theory, Physical and Theoretical Chemistry