Stability and electronic properties of hydrogenated C<sub>3</sub>B structure.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 10, p. 1, doi. 10.1002/qua.27094
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- Publication type:
- Article
Works matching IS 00207608 AND DT 2023 AND VI 123 AND IP 10
Results: 9
1
2
Site‐dependent correlation strength and occupation number of 5f electrons in alpha phase plutonium metal.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 10, p. 1, doi. 10.1002/qua.27093
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- Publication type:
- Article
3
Monomer morphology selection rules for an accurate design of bulk heterojunction: An updated theoretical account.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 10, p. 1, doi. 10.1002/qua.27092
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- Publication type:
- Article
4
Effect of strain on the thermoelectric properties of three‐dimensional PtS<sub>2</sub>: A first‐principles study.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 10, p. 1, doi. 10.1002/qua.27091
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- Publication type:
- Article
5
First‐principles study on stability, Debye temperature, mechanical, electronic and magnetic properties of Fe<sub>2</sub>B compounds.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 10, p. 1, doi. 10.1002/qua.27090
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- Publication type:
- Article
6
Terminal and bridging ligand effects on M(I)M(I) multiple bonding: A DFT investigation of the coordination in (X)[M<sub>2</sub>Cl]L<sub>2</sub> complexes (M = Cr, Fe, L = CO, PEt<sub>3</sub>, X = Cl, allyl, Cp, and indenyl)
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 10, p. 1, doi. 10.1002/qua.27089
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- Publication type:
- Article
7
Thermally activated motion of cold excitons in conjugated polymers.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 10, p. 1, doi. 10.1002/qua.27088
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- Publication type:
- Article
8
Benchmarking general neural network potential ANI‐2x on aerosol nucleation molecular clusters.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 10, p. 1, doi. 10.1002/qua.27087
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- Publication type:
- Article
9
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 10, p. 1, doi. 10.1002/qua.26935
- Publication type:
- Article