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Publications by Hélio F. dos Santos

An Investigation of the BSSE Effect on the Evaluation of Ab Initio Interaction Energies for Cisplatin-Water Complexes

Journal of the Brazilian Chemical Society

English

Análise Estrutural De Ciclodextrinas: Um Estudo Comparativo Entre Métodos Teóricos Clássicos E Quânticos

English

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An Ab Initio Investigation of Boron Bonding

English

Effects of Water Intercalation and Tribochemistry on MoS2 Lubricity: An Ab Initio Molecular Dynamics Investigation

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Molecular Physics,

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An Ab Initio MP2 Study of HCN-HX Hydrogen Bonded Complexes

Journal of the Brazilian Chemical Society

English

Ab Initio Molecular Dynamics Calculations of Ion Hydration Free Energies

Journal of Chemical Physics

Theoretical Chemistry

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Reaction Mechanism Between Small-Sized Ce Clusters and Water Molecules: An Ab Initio Investigation on Cen+H2O

Physical Chemistry Chemical Physics

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Environmental Effects on the Structure of Metal Ion-Dota Complexes: An Ab Initio Study of Radiopharmaceutical Metals

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Carbon Nanotube With Square Cross-Section: An Ab Initio Investigation

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An Ab Initio Exploration of the Bergman Cyclization

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Ab Initio Molecular Dynamics Simulation of Na-Doped Aluminosilicate Glasses and Glass-Water Interaction

English