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Publications by Regiane C.M.U. Araújo

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

Journal of the Brazilian Chemical Society
Chemistry
1998English

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Ab Initio MO Study of Hydrogen Bonding and Spectral Characteristics of HCN-H2O-HCN Trimer: Comparison Between Dimer and Trimer

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Hydrogen Promoted Decomposition of Ammonium Dinitramide: An Ab Initio Molecular Dynamics Study

Chinese Journal of Chemical Physics
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Ab Initio Study of Hydrogen Diffusion in Zirconium Oxide

Journal of Nuclear Science and Technology
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2012English

Exfoliation, Point Defects and Hydrogen Storage Properties of Monolayer TiS3: An Ab Initio Study

RSC Advances
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Study of Structural and Electronic Behavior of BeH2as Hydrogen Storage Compound: An Ab Initio Approach

Conference Papers in Science
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An Ab Initio Molecular Orbital Study of Lithiopyridines

Bulletin of the Chemical Society of Japan
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1987English

High Accuracy Ab Initio Calculations of RotationalVibrational Levels of the HCN/HNC System

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A Model Study on the Stacking Interaction of Phenanthroline Ligand With Nucleic Acid Base Pairs: An Ab Initio, MP2 and DFT Studies

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Towards SiC Surface Functionalization: An Ab Initio Study

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MedicineTheoretical ChemistryAstronomyPhysicsPhysical
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