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Journal of Computational Chemistry|June 12, 2023
An approach based on genetic algorithms and machine learning coupled for studying alloy and molecular clusters by optimizing quantum energy surfacesUmar Lucio Rezende, Leonardo A De Souza, Jadson C BelchiorChemistryopen|November 22, 2018
Structural Determination of Antioxidant and Anticancer Flavonoid Rutin in Solution through DFT Calculations of <sup>1</sup>H NMR Chemical ShiftsLeonardo A De Souza, Haroldo C Da Silva, Wagner B De AlmeidaJournal of Chemical Information and Modeling|November 19, 2019
Chemically Modified Carbon Nanohorns as Nanovectors of the Cisplatin Drug: A Molecular Dynamics StudyEduardo R Almeida, Leonardo A De Souza, Wagner B De Almeida, et al.Journal of Inorganic Biochemistry|November 14, 2017
Inclusion complexes between cisplatin and oxidized carbon nanostructures: A theoretical approachLeonardo A De Souza, Hélio F Dos Santos, Luciano T Costa, et al.Journal of Molecular Graphics & Modelling|March 24, 2019
Molecular dynamics of carbon nanohorns and their complexes with cisplatin in aqueous solutionEduardo R Almeida, Leonardo A De Souza, Wagner B De Almeida, et al.ACS Omega|February 26, 2020
Determination of Anticancer Zn(II)-Rutin Complex Structures in Solution through Density Functional Theory Calculations of <sup>1</sup>H NMR and UV-VIS SpectraHaroldo C Da Silva, Leonardo A De Souza, Hélio F Dos Santos, et al.Journal of Inorganic Biochemistry|October 5, 2013
DFT study of cisplatin@carbon nanohorns complexesLeonardo A De Souza, Camila A S Nogueira, Juliana F Lopes, et al.Journal of Paediatrics and Child Health|September 15, 2020
Role of transverse diameter of the rectum in lower urinary tract symptoms and functional constipation in children and adolescentsGlicia E de Abreu, Leonardo A de Souza, Eneida R Dourado, et al.Journal of Molecular Modeling|October 24, 2020
Application of a quantum genetic algorithm and QTAIM analysis in the study of structural and electronic properties of neutral bimetallic clusters Na<sub>x</sub>Li<sub>y</sub> (4 ≤ x + y ≤ 10)Frederico Teixeira Silva, Acassio Rocha-Santos, Caio L Firme, et al.Journal of Computational Chemistry|June 15, 2026
Transferable Semiempirical Models for Judd-Ofelt Parameters and Multiphonon Relaxation in Eu<sup>3+</sup> Complexes: Toward an Experiment-Free Luminescence DesignClaudio M B Neto, Gabriel S Santos, Leonardo A de Souza, et al.Pageof 2