Published November 15, 2022 | Version v1
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Data Sets for: Complete Description of the LaCl3-NaCl Melt Structure and the Concept of a Spacer Salt that Causes Structural Heterogeneity

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Data Sets for published figures and sample input files for PIM and AIMD simulations in paper https://doi.org/10.1021/jacs.2c09987

 

Complete Description of the LaCl3–NaCl Melt Structure and the Concept of a Spacer Salt That Causes Structural Heterogeneity

Matthew S. Emerson, Shobha Sharma, Santanu Roy*, Vyacheslav S. Bryantsev*, Alexander S. Ivanov*, Ruchi Gakhar*, Michael E. Woods, Leighanne C. Gallington, Sheng Dai, Dmitry S. Maltsev, and Claudio J. Margulis*

 

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Zenodo-data-for-jacs.2c09987.zip

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Journal article: 10.1021/jacs.2c09987 (DOI)