REPOSITORIO INSTITUCIONAL DA UFOP
metadata only
Predicting molecular crystals of polynitrogen (N6 ) structures with cage-like geometries using ab initio evolutionary algorithm.
In this work, we employed Density Functional Theory calculations combined with search techniques based on evolutionary algorithms to predict and characterize crystalline structures composed of nitrogen (N6) cagelike molecules. We found stable molecular crystals and a rich phenomenology associated wi
Conceptio Open Archive
Analyze & explore related research in Conceptio
Connect this record directly into your research workflow or AI agent. Explore citations across open repositories, query full text, and export structured proof bundles.
This document is indexed with metadata only: full text is not available in the archive for this record. Open the official source ↗
Related documents
- HyTopo A High-Performance Hierarchical Algorithm for Mapping the Structural Evolution and Transition Networks of Gas Hydrates#1132237
- Performance of universal machine learning potentials in global optimization of inorganic crystal structures#1248358
- Mechanical properties of V-4Ti-4Cr alloy from molecular dynamics with a neural-network potential#1218026
- Maximizing machine learning interatomic potential transferability for the discovery of the novel stellated octadecagon Bi18-Pt24 cage structure#322587
- Site-Selective Functional Group Classification of Auger-Electron Spectra and Core-Electron Binding Energies with Convolutional Neural Networks#1110747
Record · ID 1209080
Retrieved via Conceptio: every document is proof-bundled with source, license, and retrieval metadata.
Retrieved via Conceptio: every document is proof-bundled with source, license, and retrieval metadata.
Bring this data into your agent: Connect via MCP or API · 20 free credits to start · no card required
Read the Docs → · View CLI source on GitHub · Conceptio Open Knowledge Archive
Read the Docs → · View CLI source on GitHub · Conceptio Open Knowledge Archive