RepOD Dataverse OAI Archive
metadata only
Domain-Based Charge-Transfer Decomposition and Its Application to Explore the Charge-Transfer Character in Prototypical Dyes
The dataset provides example input files and supporting calculation files for reproducing the DFT calculations and excited-state analyses reported in the paper for eight prototypical donor–bridge–acceptor systems: cda, cba, ccya, cfa, cfla, cia, csilaa, and csiloa. Each system’s files are stored
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
- Tuning Domain-Based Charge Transfer in Organic Dyes: Impact of Heteroatom Doping on the π‑Linker of Carbazole-Based Systems#1334766
- The Nature of the Donor Motif in Acceptor-Bridge-Donor Dyes as an Influence in the Electron Photo-Injection Mechanism in DSSCs#935661
- A Computational Study on the Excited State Properties of a Cationic Cyanine Dye: Ttbc#1027378
- Strategic modulation of heterocyclic donors in binaphthyl acrylonitrile-based hole transport materials for perovskite solar cells: a DFT and machine learning investigation.#645310
- Decoding orbital interactions in H-bonded melamine networks by combining electron spectroscopy and DFT#459119
Record · ID 1334765
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