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Crystal Orbital Hamilton population (COHP) -the proj…
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DFT theoretical analysis. a) The PDOS and COHP diagr…
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a) pDOS and b) COHP data of the OHad adsorption on …
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a) pDOS and b) COHP data of the OHad adsorption o…
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a) pDOS and b) COHP data of the OHad adsorption o…
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PDOS of four hydrogen trapping sites and their corresponding COHP ...
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DFT theoretical analysis. a) The PDOS and COHP di…
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The pDOS of Fe 3d and COHP analysis of the Fe-…
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Computed band structure, PDOS, broken down onto atomic contributions ...
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The density of states (DOS), partial density of states (P…
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Figure S12. pDOS and pCOHP profiles for NMe3*AuNW (COHP: same x-scale ...
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Adsorption profiles of SO 2 and SO 3 molecules an…
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DOS and COHP curves of Gd 2 In 0.5 Li 0.5 G…
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COHP of the bonds in single‐layer FGT. a) CO…
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Electronic structure of Li6PS5Cl. a) Schematic of pDOS showing major ...
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The calculated partial density of states (PDOS) and crystal orbital ...
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(a, b) Projected density of states (PDOS) of XeAr 2 at 10 and 500 G…
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Left: Ambient pressure computed band structure, PDOS, broken down onto ...
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