A DFT study on the correlation between topology and Bader charges: Part IV, on the change of atomic charges in polymorphic transitions – A case study on CaCl 2

Beck, H. P.

doi:10.1016/j.solidstatesciences.2015.12.008

Solid State Sciences

2016

DOI: 10.1016/j.solidstatesciences.2015.12.008

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A DFT study on the correlation between topology and Bader charges: Part IV, on the change of atomic charges in polymorphic transitions – A case study on CaCl 2

H. P. Beck

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Cited by 2 publications

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Electronic and optical properties of CaCl2 using Compton scattering and density functional theory

Kumawat

Sahariya

Kumar

et al. 2018

Radiation Physics and Chemistry

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A DFT study on the correlation between topology and Bader charges: Part IV, on the change of atomic charges in polymorphic transitions – A case study on CaCl 2

Cited by 2 publications

References 13 publications

Electronic and optical properties of CaCl2 using Compton scattering and density functional theory

Electronic and optical properties of CaCl2 using Compton scattering and density functional theory

Aluminium vanadate with unsaturated coordinated V centers and oxygen vacancies: surface migration and partial phase transformation mechanism in high performance zinc-ion batteries

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