Simone S. Alexandre

Universidade Federal de Minas Gerais — Brazil

Materials Science · Physical Sciences

23h-index1.4kcitations68works0.72yr avg
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Research Topics

Graphene research and applications(15), Crystallization and Solubility Studies(13), X-ray Diffraction in Crystallography(13), DNA and Nucleic Acid Chemistry(10), Metal-Organic Frameworks: Synthesis and Applications(9)

Publications68 total

Uncovering the correlations between the structure and valence tautomerism in Co(Dioxolene)2Py2 crystals.
Structural Dynamics·2025Open Access
Enhanced Light Emission in MoSe<sub>2</sub>–WSe<sub>2</sub> Lateral Heterostructures in the Electron–Hole Plasma Regime
The Journal of Physical Chemistry Letters·2025· 2 citedOpen Access
Pré Eclampsia e os efeitos renais a longo prazo: riscos e consequências
Brazilian Journal of Health Review·2025Open Access
Structural and thermodynamic properties of quasi-2D Mo<sub>(1–<i>x</i>)</sub>W<sub> <i>x</i> </sub>(S, Se, Te)<sub>2</sub> monolayer alloys: a statistical first principle study
Nanotechnology·2023· 3 citedOpen Access
Mapping the thermo-induced valence tautomerism in cobalt dioxolane single crystals
Acta Crystallographica Section A Foundations and Advances·2021Open Access
Origin of the Giant Enhanced Raman Scattering by Sulfur Chains Encapsulated inside Single-Wall Carbon Nanotubes
ACS Nano·2021· 21 cited
Brazilian physicists community diversity, equity, and inclusion: A first diagnostic
Physical Review Physics Education Research·2020· 19 citedOpen Access
Immunocytochemistry and Density Functional Theory evidence the competition of aluminum and calcium for pectin binding in Urochloa decumbens roots
Plant Physiology and Biochemistry·2020· 22 cited
Raman spectrum of layered jacutingaite (Pt<sub>2</sub>HgSe<sub>3</sub>) crystals—Experimental and theoretical study
Journal of Raman Spectroscopy·2019· 18 cited
Optical absorption in complexes of abasic DNA with noble-metal nanoclusters by first principles calculations
Physical Chemistry Chemical Physics·2018· 5 cited
Electronic and topological properties of 2D metal-organic frameworks
Bulletin of the American Physical Society·2018
Magnetic states of linear defects in graphene monolayers: Effects of strain and interaction
Physical review. B./Physical review. B·2017· 13 citedOpen Access
Electron States of 2D Metal–Organic and Covalent–Organic Honeycomb Frameworks: Ab Initio Results and a General Fitting Hamiltonian
The Journal of Physical Chemistry C·2016· 27 cited
Charge-transfer optical absorption mechanism of DNA:Ag-nanocluster complexes
Physical review. E·2016· 8 cited
Electronic and structural properties of M$_3$(HITP)$_2$ (M = Ni, Cu and Co) metal-organic frameworks
Bulletin of the American Physical Society·2016
Theoretical Chemistry of α-Graphyne: Functionalization, Symmetry Breaking, and Generation of Dirac-Fermion Mass
Chemistry of Materials·2014· 19 cited
Theoretical chemistry of $α$-graphyne: functionalization, symmetry breaking, and generation of Dirac-fermion mass
arXiv (Cornell University)·2014Open Access
Theoretical chemistry of $\alpha$-graphyne: functionalization, symmetry breaking, and generation of Dirac-fermion mass
arXiv (Cornell University)·2014· 1 citedOpen Access
Room temperature compressibility and diffusivity of liquid water from first principles
The Journal of Chemical Physics·2013· 57 citedOpen Access
Room temperature compressibility and the diffusivity anomaly of liquid water from first principles
arXiv (Cornell University)·2013· 1 citedOpen Access
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Frequent Co-authors

R. W. Nunes(18), José M. Soler(17), Félix Zamora(16), Hélio Chacham(12), Pilar Amo‐Ochoa(12), Óscar Castillo(9), Julio Gómez‐Herrero(7), Raphael Longuinhos(6), A. D. Lúcio(5), M.I. Rodríguez-Tapiador(5), Samira Hribesh(5), Miguel A. Galindo(5), Carlos J. Gómez‐García(5), Andrew R. Pike(5), Andrew Houlton(5), Emilio Artacho(4), Ross W. Harrington(4), W. Clegg(4), David Olea(3), Pedro Pablo(3)