X-ray molecular orbital analysis. I. Quantum mechanical and crystallographic framework

DOI10.1107/S2053273318005478zbMath1444.82043OpenAlexW2820901284WikidataQ89442659 ScholiaQ89442659MaRDI QIDQ5127429

Kiyoaki Tanaka

Publication date: 22 October 2020

Published in: Acta Crystallographica Section A Foundations and Advances (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1107/s2053273318005478

zbMATH Keywords

least-squares methodmolecular orbitalsX-ray molecular orbital analysis (XMO)

Mathematics Subject Classification ID

Statistical mechanics of crystals (82D25)

Cites Work

• New Developments in Molecular Orbital Theory

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