Search Results - "Colherinhas, Guilherme" :: K.UTB vyhledávací portál

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Storing Energy in Biodegradable Electrochemical Supercapacitors

by Colherinhas, Guilherme, Malaspina, Thaciana, Fileti, Eudes Eterno
Published in ACS omega (31.10.2018)

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Updating atomic charge parameters of aliphatic amino acids: a quest to improve the performance of molecular modeling via sequential molecular dynamics and DFT-GIAO-NMR calculations

by Colherinhas, Guilherme
Published in Physical chemistry chemical physics : PCCP (14.04.2021)

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Updating atomic charge parameters of aliphatic amino acids: a quest to improve the performance of molecular modeling sequential molecular dynamics and DFT-GIAO-NMR calculations

by Colherinhas, Guilherme
Published in Physical chemistry chemical physics : PCCP (15.04.2021)

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Update of CHARMM36's atomic charges for aromatic amino acids in water solution simulations and spectroscopy analysis via sequential molecular dynamics and DFT calculations

by Colherinhas, Guilherme
Published in Journal of molecular liquids (01.01.2021)

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Exploring How System Dimensions and Periodic Boundary Conditions Influence the Molecular Dynamics Simulation of A6H Peptide Self-Assembly Nanostructures

by Mendanha, Karinna, Colherinhas, Guilherme
Published in The journal of physical chemistry. B (18.07.2024)

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Exploring How System Dimensions and Periodic Boundary Conditions Influence the Molecular Dynamics Simulation of A 6 H Peptide Self-Assembly Nanostructures

by Mendanha, Karinna, Colherinhas, Guilherme
Published in The journal of physical chemistry. B (18.07.2024)

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A6H polypeptide membranes: Molecular dynamics simulation, GIAO-DFT-NMR and TD-DFT spectroscopy analysis

by Andrade, Douglas, Colherinhas, Guilherme
Published in Journal of molecular liquids (10.10.2020)

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Molecular Dynamics Study of Surfactant-Like Peptide Based Nanostructures

by Colherinhas, Guilherme, Fileti, Eudes
Published in The journal of physical chemistry. B (23.10.2014)

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DFT-based investigation of graphene-mediated manipulation for efficient potassium ion entanglement

by Colherinhas, Guilherme, Cardoso, Wesley B.
Published in Chemical physics letters (16.02.2024)

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The influence of polar and non-polar interactions on the self-assembly of peptide nanomembranes and their applications: An atomistic study using classical molecular dynamics

by Andrade, Douglas, Colherinhas, Guilherme
Published in Journal of molecular liquids (15.11.2020)

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Molecular Description of Surfactant-like Peptide Based Membranes

by Colherinhas, Guilherme, Fileti, Eudes
Published in Journal of physical chemistry. C (08.05.2014)

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Fullerene C60 spectroscopy in [BMIM][PF6] ionic liquid: Molecular dynamics study using polarization effects

by Cardoso, Wesley Bueno, Colherinhas, Guilherme
Published in Journal of molecular structure (15.02.2022)

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Theoretical study on symmetric and asymmetric stacking in the self-assembly of bola-amphiphilic peptides into membranes with mixtures of EF4E and KF4K

by de Sousa, Elias Rafael, Colherinhas, Guilherme
Published in Journal of molecular liquids (15.04.2024)

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Investigating the asymmetry in the EDL response of C/graphene supercapacitors

by Fileti, Eudes Eterno, Colherinhas, Guilherme
Published in Physical chemistry chemical physics : PCCP (17.07.2019)

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Investigating the asymmetry in the EDL response of C 60 /graphene supercapacitors

by Fileti, Eudes Eterno, Colherinhas, Guilherme
Published in Physical chemistry chemical physics : PCCP (17.07.2019)

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A molecular dynamics study of graphyne-based electrode and biocompatible ionic liquid for supercapacitor applications

by de Araujo Chagas, Henrique, Fileti, Eudes Eterno, Colherinhas, Guilherme
Published in Journal of molecular liquids (15.08.2022)

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Selecting electronic transitions between graphyne and lithium ions for entanglement generation using new organic material

by Silva, Lucas S., Cardoso, Wesley B., Colherinhas, Guilherme
Published in Computational and theoretical chemistry (01.08.2024)

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Dynamic interactions of negatively charged gold nanoparticles (AuNPs) in aqueous environments with different ionic compositions

by Coelho, Esequias, Xavier, Douglas, Almeida, Agnaldo, Colherinhas, Guilherme
Published in Journal of molecular liquids (01.11.2024)

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O estudo de temas tecnológicos na Educação CTSA: uma experiência de alfabetização científica e tecnológica no Ensino Médio

by Ribeiro, Thiago Vasconcelos, Colherinhas, Guilherme, Genovese, Luiz Gonzaga Roversi
Published in Revista de Ensino de Ciências e Matemática (12.02.2016)

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Solvent effects on the spectroscopic properties of Damascone derivatives: A sequential Monte Carlo/Quantum Mechanics study

by de Almeida, Agnaldo Rosa, Oliveira, Leonardo Bruno Assis, Colherinhas, Guilherme
Published in Chemical physics letters (01.09.2019)

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