Development of molecular fragment interaction method for designing organic ferromagnets

DOI10.1007/S10910-016-0638-3zbMATH Open1349.82162OpenAlexW2357916772MaRDI QIDQ338808FDOQ338808

Authors: Xun Zhu, Yuriko Aoki 

Publication date: 7 November 2016

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-016-0638-3

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zbMATH Keywords

high-spin stabilitylowest unoccupied molecular orbitalmolecular fragment interaction methodnonbonding molecular orbitalorganic ferromagnets

Mathematics Subject Classification ID

Statistical mechanics of magnetic materials (82D40) Statistical mechanics of ferroelectrics (82D45)

Cites Work

• The holographic principle for latent molecular properties

Uses Software

• GAUSSIAN

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