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File Type: Text

2,381 to 2,390 of 3,053 Results

pbesol-50-334.txt Jul 3, 2023 - Simulation data for: Simulation of crystal growth by an innovative hybrid DFT-continuum solvation approach: Kink-site formation on barite (001) Plain Text - 1.9 KB - SHA-256: 6ee95c5bad3605c259dfec744f8d601d0a43215e02d3d81b1d94f9b403c5add7 Simulation data of the barite unit cell relaxation with Exchange-correlation functional: pbesol, Cutoff energy (ecutwfc): 50, k-points: 334
pbesol-50-444.txt Jul 3, 2023 - Simulation data for: Simulation of crystal growth by an innovative hybrid DFT-continuum solvation approach: Kink-site formation on barite (001) Plain Text - 1.9 KB - SHA-256: 63044856eaad2885bf7cab1c883f69745dd7ff4cfa0c42fda37e686e84884dad Simulation data of the barite unit cell relaxation with Exchange-correlation functional: pbesol, Cutoff energy (ecutwfc):50, k-points: 444
LICENSE May 22, 2023 - Replication Data and Matlab Code for: StructureHyperfineRelations Plain Text - 1.1 KB - SHA-256: 4f0038742cb51e652cc630b9560558fcbb4e53ec4495667a351db94f6e3e3131
natsort_license.txt May 22, 2023 - Replication Data and Matlab Code for: StructureHyperfineRelations Plain Text - 1.5 KB - SHA-256: 8ad92dc9a234212573c512519a91c711c856b201052c5b10c88b3161d3f0d67a
PeriodicTable.txt May 22, 2023 - Replication Data and Matlab Code for: StructureHyperfineRelations Plain Text - 954 B - SHA-256: 2bc8c42985a337bd0369329be5c8738d2fa33cbb1ec07ae6a1481477a3bb375d
README.md May 22, 2023 - Replication Data and Matlab Code for: StructureHyperfineRelations Markdown Text - 2.6 KB - SHA-256: 59236e8be18f874ba0edd8474068b4b95c4f60c38bcccbb3c57b87ccc1486297
2022-03-31-00-02-50-swzv1ieq.txt May 16, 2023 - Replication Data for: https://arxiv.org/abs/2210.07833v2 Plain Text - 1.3 KB - SHA-256: 47ae4a1db808fdf074c98fbe9f9877eee71ec84c75b9b46011b510d8955711ef
control_values.txt May 16, 2023 - Replication Data for: https://arxiv.org/abs/2210.07833v2 Plain Text - 7.3 KB - SHA-256: 9690e43cbd1bb3cbe0bf8c45b740cff74ad9c3f10e9ba2a3688708976b49c7dc
corrected_control.txt May 16, 2023 - Replication Data for: https://arxiv.org/abs/2210.07833v2 Plain Text - 2.5 KB - SHA-256: 641fe5f8ec1976c8be845bf89bbfa0cde98c4ae95976ccd8dc081c1c2d01c9e7
distorted_control.txt May 16, 2023 - Replication Data for: https://arxiv.org/abs/2210.07833v2 Plain Text - 7.3 KB - SHA-256: c53b4d3ef2d371d2cccf45ee943ccd4f2f39b79bc901955770a0ea7c0c9c2998

pbesol-50-334.txt

Jul 3, 2023 - Simulation data for: Simulation of crystal growth by an innovative hybrid DFT-continuum solvation approach: Kink-site formation on barite (001)

Plain Text - 1.9 KB - SHA-256: 6ee95c5bad3605c259dfec744f8d601d0a43215e02d3d81b1d94f9b403c5add7

Simulation data of the barite unit cell relaxation with Exchange-correlation functional: pbesol, Cutoff energy (ecutwfc): 50, k-points: 334

pbesol-50-444.txt

Jul 3, 2023 - Simulation data for: Simulation of crystal growth by an innovative hybrid DFT-continuum solvation approach: Kink-site formation on barite (001)

Plain Text - 1.9 KB - SHA-256: 63044856eaad2885bf7cab1c883f69745dd7ff4cfa0c42fda37e686e84884dad

Simulation data of the barite unit cell relaxation with Exchange-correlation functional: pbesol, Cutoff energy (ecutwfc):50, k-points: 444

LICENSE

May 22, 2023 - Replication Data and Matlab Code for: StructureHyperfineRelations

Plain Text - 1.1 KB - SHA-256: 4f0038742cb51e652cc630b9560558fcbb4e53ec4495667a351db94f6e3e3131

natsort_license.txt

May 22, 2023 - Replication Data and Matlab Code for: StructureHyperfineRelations

Plain Text - 1.5 KB - SHA-256: 8ad92dc9a234212573c512519a91c711c856b201052c5b10c88b3161d3f0d67a

PeriodicTable.txt

May 22, 2023 - Replication Data and Matlab Code for: StructureHyperfineRelations

Plain Text - 954 B - SHA-256: 2bc8c42985a337bd0369329be5c8738d2fa33cbb1ec07ae6a1481477a3bb375d

README.md

May 22, 2023 - Replication Data and Matlab Code for: StructureHyperfineRelations

Markdown Text - 2.6 KB - SHA-256: 59236e8be18f874ba0edd8474068b4b95c4f60c38bcccbb3c57b87ccc1486297

2022-03-31-00-02-50-swzv1ieq.txt

May 16, 2023 - Replication Data for: https://arxiv.org/abs/2210.07833v2

Plain Text - 1.3 KB - SHA-256: 47ae4a1db808fdf074c98fbe9f9877eee71ec84c75b9b46011b510d8955711ef

control_values.txt

May 16, 2023 - Replication Data for: https://arxiv.org/abs/2210.07833v2

Plain Text - 7.3 KB - SHA-256: 9690e43cbd1bb3cbe0bf8c45b740cff74ad9c3f10e9ba2a3688708976b49c7dc

corrected_control.txt

May 16, 2023 - Replication Data for: https://arxiv.org/abs/2210.07833v2

Plain Text - 2.5 KB - SHA-256: 641fe5f8ec1976c8be845bf89bbfa0cde98c4ae95976ccd8dc081c1c2d01c9e7

distorted_control.txt

May 16, 2023 - Replication Data for: https://arxiv.org/abs/2210.07833v2

Plain Text - 7.3 KB - SHA-256: c53b4d3ef2d371d2cccf45ee943ccd4f2f39b79bc901955770a0ea7c0c9c2998

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