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Publications by Marcelo Marques

Slater Half-Occupation Technique Revisited: The LDA-1/2 and GGA-1/2 Approaches for Atomic Ionization Energies and Band Gaps in Semiconductors

English

Oxone®-Mediated Direct Α-Hydroxylation of Β-Dicarbonyl Compounds: Racemic Synthesis of Harzialactone A

Journal of the Brazilian Chemical Society

English

Related publications

Representations of the Occupation Number Matrix on the LDA/GGA+Umethod

Journal of Physics Condensed Matter

Materials Science

Condensed Matter Physics

English

Lanthanide Ionization Energies and the Sub-Shell Break. Part 2. The Third and Fourth Ionization Energies

Journal of Physical and Chemical Reference Data

Theoretical Chemistry

English

Photoelectron Imaging Spectroscopy for (2+1) Resonance-Enhanced Multiphoton Ionization of Atomic Iodine Produced From A-Band Photolysis of CH3I

Journal of Chemical Physics

Theoretical Chemistry

English

Ortho-Localisation Energies for Methyl-1:2 Benzanthracenes

Bulletin of the Chemical Society of Japan

English

Transition Metal Ions in Semiconductors: LDA, LDA+U, and Experiment

Acta Physica Polonica A

English

Scientific Approaches to Clinical Neurology Volumes 1 and 2

Journal of Neurology, Neurosurgery and Psychiatry

English

Density-Functional Expansion Methods: Evaluation of LDA, GGA, and Meta-Gga Functionals and Different Integral Approximations

Journal of Chemical Physics

Theoretical Chemistry

English

Experimental Studies on the Toxicity of 1, 1, 1, 2- Tetrachloroethane Conpared With 1, 1, 2, 2- Tetrachloroethane and 1, 1, 1- Trichloroethane

English

2-1, 2-2 and 2-1-1 MASH Delta-Sigma Modulator for 18-Bit Audio Digital to Analog Converter

International Journal of Electronics and Electrical Engineering

English