Accurate temperature dependence of structure factors of l-alanine and taurine for quantum crystallography

Accurate temperature dependence of structure factors of l-alanine and taurine for quantum crystallography

Multi-temperature high-quality structure factors of L-alanine and taurine were re-measured at the SPring-8 BL02B1 beamline for method development in quantum crystallography. The quality of the data was evaluated by comparison with previous studies. In the case of taurine, we found that the data qual...

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Bibliographic Details
Main Authors: Mibuki Hayashi, Takashi Nishioka, Hidetaka Kasai, Eiji Nishibori
Format: Article
Language:English
Published: International Union of Crystallography 2025-05-01
Series:IUCrJ
Subjects:
single-crystal diffraction data
l-alanine
taurine
quantum crystallography
twinning
x-ray constrained wavefunction
hartree–fock charge density
Online Access:https://journals.iucr.org/paper?S2052252525002647
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