Molecular and Ionic Solids
Structures of Solids
Band Theory
Ionic Crystal Structures
Valence Bond Theory
Ionic Bonding and Electron Transfer
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Updated: Apr 23, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Haijin Zhu1, Fangfang Chen, Liyu Jin
1Institute for Frontier Materials and ARC Centre of Excellence for Electromaterials Science, Deakin University, Geelong, VIC 3216 (Australia).
Molecular dynamics in [C2 mpyr][BF4 ] were studied. A restricted 25° puckering motion in the pyrrolidinium ring was observed, crucial for low-temperature ion mobility.
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