Molecular spin beyond transition metals
Heavy main-group and open-shell molecules as platforms for molecular spin.
Molecular spin beyond transition metals.
We use quantum chemistry to understand how electronic structure, vibration and light govern magnetism, photophysics and spin dynamics—especially in heavy main-group and open-shell molecules.
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Latest publications
2026 · Journal of Molecular Structure
Diffusion-based cocrystal design: Structure, characterization, and supramolecular heterosynthons
2026 · Dyes and Pigments
Illuminating zinc ions in solution: Selective fluorescence detection with a simple coumarin-thiosemicarbazone sensor
2026 · CrystEngComm
Coordination compounds based on a phosphonic diamide–TEMPO diradical and Cu(II), Nd(III), Eu(III) and Tb(III) ions: synthesis, magnetic properties and application in the aerobic oxidation of allylic and benzylic alcohols
2026 · ACS Omega
Responsive Supramolecular Sensors Based on Pillar[5]arene–BTD Complexes for Aqueous Sensing: From Static Quenching to Anion and DNA Recognition
2026 · RSC Advances
Self-assembled isomorphous 2D triangular networks: divergent magnetic relaxation in Co(II) and Cu(II)
Google Scholar snapshot
- Citations
- 252241 since 2021
- h-index
- 98 since 2021
- i10-index
- 98 since 2021
Manual reviewed snapshot, checked 2026-08-12. Metrics are a reviewed snapshot, not a live scrape.
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Research programs + current investigations
Molecular magnetism and anisotropy
Electronic-structure principles that govern exchange, anisotropy and magnetic response.
Light-controlled spin and photophysics
How vibration and light connect photophysics with spin dynamics.
Methods, machine learning and research software
Reproducible computational methods, machine learning and open research tools.
Current investigations / 2026
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The group
Q²M³ is based in UFRRJ’s Department of Fundamental Chemistry and works through experimental and computational collaborations.
Alumni & academic lineage
The formal Q²M³ alumni register will begin with the group’s first completed cohorts. Earlier supervision is documented separately as Henrique’s academic lineage.
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Tools, code and data
Q-Shape
An open web application for molecular shape analysis.
ORCAParser
Open-source utilities for parsing ORCA calculation output.
ORCASpectrumPlot
Open-source tools for plotting spectra from ORCA calculations.
NomenclaturaQuimica
An open web resource for chemical nomenclature.
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Teaching + scientific service
Teaching
- IC310 General Chemistry2026.1
- IC618 Inorganic Chemistry I2026.1
- IC619 Experimental Inorganic Chemistry I2026.1
- Virtual Winter School on Computational Chemistry organising committeeSince 2022
Academic service
- 68 public peer-review records16 journal groups · ORCID snapshot, June 2026
Reviewer service is shown only as a reviewed aggregate. Manuscript identities and editorial details remain confidential.
Peer review is reported only in aggregate. Manuscript identities, authors, editors, decisions and review dates remain confidential.
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Group life, events and visual archive
Photos and research in print
This space is ready for permission-cleared group photographs and publication artwork with full credits, captions, and useful alt text.
Permission-cleared group and event photographs can be added with names, dates, alt text, captions, rights and credits. No portrait is inferred or fabricated.
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From the blog
Research notes, explanations, talks, images, and field dispatches from the group.
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Research note
Our paper was selected as the cover for this issue of the Journal of the Brazilian Chemical Society
This work, published by the Journal of the Brazilian Chemical Society, delves into the luminescent and magnetic properties of a series of…
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Research note
Plotting molecular electrostatic potential surfaces (MEPS) with ORCA
The orca_vpot program calculates the electrostatic potential for a set of points provided by the user. But it can be boring or…
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Research note
Non-Interactive plotting using orca_plot
ORCA provides a convenient way to plot orbitals and densities in the form of a small binary called orca_plot. Here is how…
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Henrique online + join / collaborate
Henrique C. S. Junior Group leader
We welcome expressions of interest from students and collaborators working on molecular spin, photophysics, quantum chemistry, data and open scientific software.
Current funded opportunities will always be stated explicitly. A general invitation to contact the group does not imply available funding.