Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 11, p. 1, doi. 10.1002/qua.26242
- Publication type:
- Article
Works matching IS 00207608 AND DT 2020 AND VI 120 AND IP 11
Results: 17
1
2
Cover Image, Volume 120, Issue 11.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 11, p. 1, doi. 10.1002/qua.26240
- Publication type:
- Article
3
Selective hydrogen production at Pt(111) investigated by Quantum Monte Carlo methods for metal catalysis.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 11, p. 1, doi. 10.1002/qua.26198
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- Publication type:
- Article
4
On the aspect of plane of appearance of Jahn‐Teller and Renner‐Teller intersections in tetra‐atomic system—A case study with HCNO<sup>+</sup>.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 11, p. 1, doi. 10.1002/qua.26195
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- Publication type:
- Article
5
Combining electronic properties and virtual screening for the development of new antioxidants: Trolox‐like compounds as application example.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 11, p. 1, doi. 10.1002/qua.26194
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- Publication type:
- Article
6
Nonempirical (double‐hybrid) density functionals applied to atomic excitation energies: A systematic basis set investigation.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 11, p. 1, doi. 10.1002/qua.26193
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- Publication type:
- Article
7
Two‐dimensional confined hydrogen: An entropy and complexity approach.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 11, p. 1, doi. 10.1002/qua.26192
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- Publication type:
- Article
8
Au<sub>21</sub> cage structures and their magic number tri‐cations.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 11, p. 1, doi. 10.1002/qua.26191
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- Publication type:
- Article
9
Approximate ℓ ‐bound state solutions of q‐deformed exponential‐type potentials.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 11, p. 1, doi. 10.1002/qua.26189
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- Publication type:
- Article
10
Shannon‐information entropy sum in the confined hydrogenic atom.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 11, p. 1, doi. 10.1002/qua.26188
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- Publication type:
- Article
11
Quantum Monte Carlo study of ground and first excited state of C, N, O, F, and Ne atoms using Slater‐Jastrow‐Backflow wave function.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 11, p. 1, doi. 10.1002/qua.26187
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- Publication type:
- Article
12
Magneto‐optical specifications of Rosen‐Morse quantum dot with screw dislocation.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 11, p. 1, doi. 10.1002/qua.26186
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- Publication type:
- Article
13
Theoretical investigation on the structure and stability of some neutral noble gas compounds containing Xe‐Xe bond.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 11, p. 1, doi. 10.1002/qua.26185
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- Publication type:
- Article
14
Nature of the chemical bonding in D<sub>3h</sub> [MH<sub>3</sub>M]<sup>+</sup> cations (M = Be, Mg).
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 11, p. 1, doi. 10.1002/qua.26183
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- Publication type:
- Article
15
Hydrolysis of HNSO<sub>2</sub>: A potential route for atmospheric production of H<sub>2</sub>SO<sub>4</sub> and NH<sub>3</sub>.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 11, p. 1, doi. 10.1002/qua.26182
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- Publication type:
- Article
16
The solvent effect on a styryl‐bodipy derivative functioning as an AND molecular logic gate.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 11, p. 1, doi. 10.1002/qua.26181
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- Publication type:
- Article
17
Pseudopotential‐fragment spectroscopy for organic molecules and carbon allotropes.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 11, p. 1, doi. 10.1002/qua.26180
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- Publication type:
- Article