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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

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A. Roy

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#software testing Dataset Open access Sep 2026

ExFiT: Ensemble-based Excited-State Character Fingerprinting across Temperatures

Repository Description This repository contains all data, computational outputs, and analysis scripts used for the ExFiT study: Ensemble-based Excited-State Character Fingerprinting across Temperatures. It provides equilibrium geometries, finite-temperature Wigner ensembles, quantum-chemical outputs, excited-state desc...

A. Roy, Jacek W. Waluk, Daniel T. Gryko et al. · 0 citations

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