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1 papers
Li M.-Q., Cao Y., Qin L. et al. · Nano Research · 2024
Reported here: gas-phase DSBDC charged-state DFT models
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| gas-phase DSBDC charged-state DFT models2024 · Layered coordination polymer with two-dimensional covalent bismuth-organic networks: Semiconductor and lithium ion storage | DSBDC2-, DSBDC3-, DSBDC4-, DSBDC5- and related charged statesDSBDC organic molecule/anion models | 0D · Model SystemGas-phase DFT models optimized at B3LYP/6-31+G(d,p) to analyse possible redox states of the organic component. | rendered page 2 · Characterization · Figure S10 |