Q-Shape
An open web application for molecular shape analysis.
Explore Q-ShapeQuantum chemistry / Molecular magnetism
Molecular spin
beyond transition metals.
We investigate molecular magnetism, excited states and the chemistry of spin — from heavy main-group molecules to light-responsive materials.
Open tools / Built for research
From calculation
to insight.
ORCASpectrumPlot
Make your
spectra readable.
Load a spectrum, adjust broadening and energy shift, and export the result. A practical interface for working with ORCA spectra.
Explore ORCASpectrumPlotInterface screenshot from HenriqueCSJ/ORCASpectrumPlot.
ORCAParser
Open-source utilities for parsing ORCA calculation output.
Explore ORCAParserNomenclaturaQuimica
An open web resource for chemical nomenclature.
Explore NomenclaturaQuimicaResearch in print
Recent publications.
2026
Diffusion-based cocrystal design: Structure, characterization, and supramolecular heterosynthons
Journal of Molecular Structure
DOI: 10.1016/j.molstruc.2025.145169Illuminating zinc ions in solution: Selective fluorescence detection with a simple coumarin-thiosemicarbazone sensor
2026Dyes and Pigments
DOI: 10.1016/j.dyepig.2025.113389Coordination 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
2026CrystEngComm
DOI: 10.1039/D5CE01150GResponsive Supramolecular Sensors Based on Pillar[5]arene–BTD Complexes for Aqueous Sensing: From Static Quenching to Anion and DNA Recognition
2026ACS Omega
DOI: 10.1021/acsomega.5c10011Self-assembled isomorphous 2D triangular networks: divergent magnetic relaxation in Co(II) and Cu(II)
2026RSC Advances
DOI: 10.1039/D5RA06376KExplore the papers, methods and collaborations behind the work.
From the notebook
Ideas worth revisiting.
Practical tutorials and research stories from the archive.
Plotting molecular electrostatic potential surfaces (MEPS) with ORCA
Our paper was selected as the cover for this issue of the Journal of the Brazilian Chemical Society
Non-Interactive plotting using orca_plot
How can Spin-Orbit-Coupling allow interactions between states with different multiplicities?
Why is manganese(II) colored although the transition should be spin-forbidden?
Courses & learning
Teaching at UFRRJ.
General and inorganic chemistry, in the classroom and the laboratory.
Scientific exchange
Events & community.
No public event announcements are currently listed.
Scientific service
Virtual Winter School on Computational Chemistry organising committee
View community roleUFRRJ / Seropédica, Brazil
Science grows
through collaboration.
Q²M³ is based in UFRRJ’s Department of Fundamental Chemistry and works through experimental and computational collaborations.
Henrique de Castro Silva Junior
Group leader · UFRRJ
Connect / Follow the work
Find me online.
Research conversations, open tools and academic life.