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1 citation found for Ignat'ev, V.

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We apply for the first time the transferable aspherical atom model (TAAM) for the refinement of a metal complex structure against 3D ED data. Our results show that TAAM significantly outperforms the independent atom model (IAM) by more accurately depicting the electrostatic potential, particularly in low-resolution ranges. We found that using TAAM for organic ligands is more important than an accurate description of the metal centre in the refinement against 3D ED data.

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