Work

Combining molecular fragmentation and machine learning for accurate prediction of adiabatic ionization potentials

Year: 2025

Type: article

Source: Pure and Applied Chemistry

DOI: 10.1515/pac-2025-0574

Authors: Debashis Swain, Sarah Maier, Surya Sekhar Manna, Krishnan Raghavachari

Institutions: Indiana University Bloomington, Indiana University

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: closed

Funder: National Science Foundation

Award: A Hierarchy of Fragment-based Quantum Chemical Models Incorporating Machine Learning for Applications in Nanoscale Systems

OpenAlex ID: W4414410412

FWCI: 0.737

Cites: 43

Cited by: 2

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