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GIPAW-DFT

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2 results in Keywords: GIPAW-DFT

Analytical Chemistry

Temperature-induced mobility in Octacalcium Phosphate impacts crystal symmetry: water dynamics studied by NMR crystallography

Adam Nelson, Wassilios Papawassiliou, Subhradip Paul, Sabine Hediger, Ivan Hung, Zhehong Gan, Amrit Venkatesh, W. Trent Franks, Mark E. Smith, David Gajan, Gaël De Paëpe, Christian Bonhomme, Danielle Laurencin, Christel Gervais

Version 2 posted 29 May 2024

307

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Materials Chemistry

High-resolution 17O solid-state NMR as a unique probe for investigating oxalate binding modes in materials: The case study of calcium oxalate biominerals

Ieva Goldberga, Ivan Hung, Vincent Sarou-Kanian, Christel Gervais, Zhehong Gan, Jessica Novák-Špačková, Thomas-Xavier Métro, César Leroy, Dorothée Berthomieu, Arie van der Lee, Christian Bonhomme, Danielle Laurencin

Version 2 posted 15 March 2024

331

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