Cover Image, Volume 120, Issue 5.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 5, p. N.PAG, doi. 10.1002/qua.26164
- Publication type:
- Article
Works matching IS 00207608 AND DT 2020 AND VI 120 AND IP 5
Results: 12
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Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 5, p. N.PAG, doi. 10.1002/qua.26163
- Publication type:
- Article
3
Density functional approximations for consistent spin and oxidation states of oxoiron complexes.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 5, p. N.PAG, doi. 10.1002/qua.26121
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- Publication type:
- Article
4
Mechanism for hydrolysis of double six‐membered ring tetraborate anion.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 5, p. N.PAG, doi. 10.1002/qua.26118
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- Publication type:
- Article
5
Theoretical modeling of the chemical synthesis and detonation performance of polynitrocubane derivatives.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 5, p. N.PAG, doi. 10.1002/qua.26117
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- Publication type:
- Article
6
Probing internal electric fields of π‐ and σ‐hole bonds.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 5, p. N.PAG, doi. 10.1002/qua.26116
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- Publication type:
- Article
7
Tune‐out and magic wavelengths for hydrogenlike and screened‐hydrogenlike atoms.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 5, p. N.PAG, doi. 10.1002/qua.26115
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- Publication type:
- Article
8
Self‐catalyzed keto‐enol tautomerization of malonic acid.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 5, p. N.PAG, doi. 10.1002/qua.26114
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- Publication type:
- Article
9
Quantum information entropies of multiple quantum well systems in fractional Schrödinger equations.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 5, p. N.PAG, doi. 10.1002/qua.26113
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- Publication type:
- Article
10
A comprehensive, self‐contained derivation of the one‐body density matrices from single‐reference excited‐state calculation methods using the equation‐of‐motion formalism.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 5, p. N.PAG, doi. 10.1002/qua.26110
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- Publication type:
- Article
11
Theoretical investigations of spin‐orbit coupling and intersystem crossing in reaction carbon dioxide activated by [Re(CO)<sub>2</sub>]<sup>+</sup>.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 5, p. N.PAG, doi. 10.1002/qua.26109
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- Publication type:
- Article
12
Insights into the role of D‐ A ‐ π ‐ A type pro‐aromatic organic dyes with thieno[3,4‐b]pyrazine as A acceptor group into dye‐sensitized solar‐cells. A TD‐DFT/periodic DFT study.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 5, p. N.PAG, doi. 10.1002/qua.26108
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- Publication type:
- Article