Acta Crystallographica Section A
Acta Crystallographica
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Figure 1
RMS error for the least-squares fit of parameterized values in equations (11)
and (12)
versus atomic DFT-calculated
A
and
B
values.
FOUNDATIONS
ADVANCES
ISSN: 2053-2733
Volume 77
|
Part 6
|
November 2021
|
Pages 509-518
https://doi.org/10.1107/S2053273321008792
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The IUCr is a scientific union serving the interests of crystallographers and other scientists employing crystallographic methods.