Effects of lithium on the electronic properties of porous Ge as anode material for batteries.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 31, p. 2653, doi. 10.1002/jcc.26421
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2020 AND VI 41 AND IP 31
Results: 7
1
2
Electronic structures of NbGe<sub>n</sub><sup>−/0/+</sup> (n = 1–3) clusters from multiconfigurational CASPT2 and density matrix renormalization group‐CASPT2 calculations.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 31, p. 2641, doi. 10.1002/jcc.26420
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- Article
3
Divalent N<sup>I</sup> Compounds: Identifying new Carbocyclic Carbenes to Design Nitreones using Quantum Chemical Methods.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 31, p. 2624, doi. 10.1002/jcc.26417
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- Publication type:
- Article
4
Topological analysis of chemical bonding in the layered FePSe<sub>3</sub> upon pressure‐induced phase transitions.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 31, p. 2610, doi. 10.1002/jcc.26416
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- Article
5
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 31, p. 2605, doi. 10.1002/jcc.25996
- Publication type:
- Article
6
Role of alkylated residues in the tetrapeptide self‐assembly—A molecular dynamics study.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 31, p. 2634, doi. 10.1002/jcc.26419
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- Publication type:
- Article
7
MOCASSIN: Metropolis and kinetic Monte Carlo for solid electrolytes.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 31, p. 2663, doi. 10.1002/jcc.26418
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- Publication type:
- Article