Calculation of the Jahn-Teller parameters with DFT.
- Published in:
- Journal of the Serbian Chemical Society, 2019, v. 84, n. 8, p. 779, doi. 10.2298/JSC190510064Z
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- Article
Works matching IS 03525139 AND DT 2019 AND VI 84 AND IP 8
Results: 10
1
2
Spectroscopic study of micro-discharges during plasma electrolytic oxidation of Al-Zn-Si alloy.
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- Journal of the Serbian Chemical Society, 2019, v. 84, n. 8, p. 915, doi. 10.2298/JSC190418040S
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3
Effects of alkali metal cations on oxygen reduction on N-containing carbons viewed as the interplay between capacitive and electrocatalytic properties: Experiment and theory.
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- Journal of the Serbian Chemical Society, 2019, v. 84, n. 8, p. 901, doi. 10.2298/JSC190426072P
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- Article
4
Hydrogen transfer reaction: Bond formation and bond cleavage through the eyes of interacting quantum atoms.
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- Journal of the Serbian Chemical Society, 2019, v. 84, n. 8, p. 891, doi. 10.2298/JSC190226034M
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- Article
5
Six-dimensional potential energy surface and rotation-vibration energy levels of HNCO in the ground electronic state.
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- Journal of the Serbian Chemical Society, 2019, v. 84, n. 8, p. 845, doi. 10.2298/JSC190427039M
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- Article
6
Vibronic and spin-orbit coupling effects in the absorption spectra of pyrazine: A quantum chemical approach.
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- Journal of the Serbian Chemical Society, 2019, v. 84, n. 8, p. 819, doi. 10.2298/JSC190510048D
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- Article
7
SCCS<sup>-</sup> radical: Renner-Teller effect and spin-orbit coupling in the X <sup>2</sup>Π<sub>u</sub> electronic state.
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- Journal of the Serbian Chemical Society, 2019, v. 84, n. 8, p. 801, doi. 10.2298/JSC190401033J
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- Article
8
Efficient structural and energetic screening of fullerene encapsulation in a large supramolecular double decker macrocycle.
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- Journal of the Serbian Chemical Society, 2019, v. 84, n. 8, p. 837, doi. 10.2298/JSC190701079B
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9
The reactivity of dopamine precursors and metabolites towards ABTS<sup>•-</sup>: An experimental and theoretical study.
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- Journal of the Serbian Chemical Society, 2019, v. 84, n. 8, p. 877, doi. 10.2298/JSC190430050D
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10
The role of molecular properties of mononitrofluoranthenes to their mutagenic activity: Insight from ab initio and DFT calculations.
- Published in:
- Journal of the Serbian Chemical Society, 2019, v. 84, n. 8, p. 861, doi. 10.2298/JSC190509045O
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- Publication type:
- Article