Enric Petrus

8PUBLICATIONS
17CO-AUTHORS
Formal methods for softwareMetal cluster chemistryInorganic materials (incl. nanomaterials)Main group metal chemistryTheoretical quantum chemistry
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Publications (8)

|Oct 22, 2026
VizChemoton: Visualization of Quantum Chemical Reaction Networks and Their Cheminformatics Features.

|Aug 19, 2024
Computational insights into aqueous speciation of metal-oxide nanoclusters: an in-depth study of the Keggin phosphomolybdate.

Jordi Buils, Diego Garay-Ruiz, Mireia Segado-Centellas

|Jul 27, 2023
Multi-Time-Scale Simulation of Complex Reactive Mixtures: How Do Polyoxometalates Form?

Enric Petrus, Diego Garay-Ruiz, Markus Reiher

|May 26, 2023
A redox-active inorganic crown ether based on a polyoxometalate capsule.

Nanako Tamai, Naoki Ogiwara, Eri Hayashi

|Aug 23, 2022
Computational Prediction of Speciation Diagrams and Nucleation Mechanisms: Molecular Vanadium, Niobium, and Tantalum Oxide Nanoclusters in Solution.

Enric Petrus, Mireia Segado-Centellas, Carles Bo

|Jun 04, 2021
Unlocking Phase Diagrams for Molybdenum and Tungsten Nanoclusters and Prediction of their Formation Constants.

Enric Petrus, Carles Bo

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Frequent Collaborators

7 joint publications

Carles Bo

3 joint publications

Mireia Segado-Centellas

3 joint publications

Diego Garay-Ruiz

2 joint publications

Markus Reiher