Electron‐pair entropic and complexity measures in atomic systems.
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 7, p. N.PAG, doi. 10.1002/qua.25861
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- Publication type:
- Article
Works matching IS 00207608 AND DT 2019 AND VI 119 AND IP 7
Results: 12
1
2
Cover Image, Volume 119, Issue 7.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 7, p. N.PAG, doi. 10.1002/qua.25906
- Publication type:
- Article
3
Comparison between the analysis of the asymptotic wavepacket and the associated flux for the calculation of kinetic‐energy‐releases function.
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 7, p. N.PAG, doi. 10.1002/qua.25858
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- Publication type:
- Article
4
Bistability of an iron‐cobalt binuclear complex.
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 7, p. N.PAG, doi. 10.1002/qua.25856
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- Publication type:
- Article
5
A DFT study on the possibility of using a single Cu atom incorporated nitrogen‐doped graphene as a promising and highly active catalyst for oxidation of CO.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 7, p. N.PAG, doi. 10.1002/qua.25857
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- Publication type:
- Article
6
Effect of excess electron on structure, bonding, and spectral properties of sulfur/selenium based dichalcogen systems.
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 7, p. N.PAG, doi. 10.1002/qua.25855
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- Article
7
A theoretical investigation on the structures of (NH<sub>3</sub>)·(H<sub>2</sub>SO<sub>4</sub>)·(H<sub>2</sub>O)<sub>0‐14</sub> clusters.
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 7, p. N.PAG, doi. 10.1002/qua.25850
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- Publication type:
- Article
8
Stress tensor eigenvector following with next‐generation quantum theory of atoms in molecules.
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 7, p. N.PAG, doi. 10.1002/qua.25847
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- Article
9
Comparative study of magnetic and electronic properties of room‐temperature polar magnets ScFeO<sub>3</sub> and InFeO<sub>3</sub>.
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 7, p. N.PAG, doi. 10.1002/qua.25846
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- Publication type:
- Article
10
Is the S<sub>2</sub>N<sub>2</sub> ring a singlet diradical? Critical analysis of alternative valence bond descriptions.
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 7, p. N.PAG, doi. 10.1002/qua.25845
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- Publication type:
- Article
11
New insights in conceptual DFT: New model for the calculation of local reactivity indices based on the Sanderson's principle.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 7, p. N.PAG, doi. 10.1002/qua.25844
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- Publication type:
- Article
12
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 7, p. N.PAG, doi. 10.1002/qua.25736
- Publication type:
- Article