Metastable aluminum boride: density functional theory study of prerequisites of formation.
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- International Journal of Quantum Chemistry, 2023, v. 123, n. 22, p. 1, doi. 10.1002/qua.27219
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- Article
Works matching IS 00207608 AND DT 2023 AND VI 123 AND IP 22
Results: 11
1
2
Transition metal embedded in two‐dimensional bi‐BN as high activity single atom electrocatalyst for oxygen reduction reactions.
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- International Journal of Quantum Chemistry, 2023, v. 123, n. 22, p. 1, doi. 10.1002/qua.27218
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- Article
3
Topological indices of molecular graphs of monkeypox drugs for QSPR analysis to predict physicochemical and ADMET properties.
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- International Journal of Quantum Chemistry, 2023, v. 123, n. 22, p. 1, doi. 10.1002/qua.27210
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- Article
4
DFT‐based systematic study on the structural, optoelectronic, thermodynamic, vibrational, and mechanical behavior of Ruddlesden Popper perovskites Sr<sub>2</sub>XO<sub>4</sub> (X = Zr, Hf) for optoelectronic applications.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 22, p. 1, doi. 10.1002/qua.27216
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- Article
5
First principle determination of stability constants of metal complexes by cellmetry method.
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- International Journal of Quantum Chemistry, 2023, v. 123, n. 22, p. 1, doi. 10.1002/qua.27214
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- Article
6
Curl condition: Existence of sub‐Hilbert space for molecular species or chemical processes.
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- International Journal of Quantum Chemistry, 2023, v. 123, n. 22, p. 1, doi. 10.1002/qua.27212
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- Article
7
QSPR analysis through graph models for predicting ADMET properties of antifungal drugs to treat fungal diseases.
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- International Journal of Quantum Chemistry, 2023, v. 123, n. 22, p. 1, doi. 10.1002/qua.27211
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- Article
8
Theoretical and experimental studies on the thermal decomposition and fire‐extinguishing performance of 1,1,2,3,3,3‐hexafluoro‐1‐propene (R1216).
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 22, p. 1, doi. 10.1002/qua.27217
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- Article
9
Modeling of the photophysical and photovoltaic properties of an active layer based on the organic composite poly(2‐methoxy‐5‐(2‐ethyl‐hexyloxy)‐1,4‐phenylene‐vinylene) (MEH‐PPV)–poly(3‐hexylthiophene) (P3HT): (6,6)‐phenyl C61 butyric acid methyl ester (PCBM)
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 22, p. 1, doi. 10.1002/qua.27204
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- Article
10
Does alkyl chain unsaturation affect tunability of the aryl alkyl imidazolium‐based ion pairs?
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- International Journal of Quantum Chemistry, 2023, v. 123, n. 22, p. 1, doi. 10.1002/qua.27203
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- Article
11
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 22, p. 1, doi. 10.1002/qua.26947
- Publication type:
- Article