Deep learning for inverse problems in quantum mechanics.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 9, p. 1, doi. 10.1002/qua.26599
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Works matching IS 00207608 AND DT 2021 AND VI 121 AND IP 9
Results: 17
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Toward a two‐dimensional NbS<sub>2</sub>‐based electrode for lithium–ion batteries.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 9, p. 1, doi. 10.1002/qua.26603
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- Article
3
Extremal Mostar indices of tree‐like polyphenyls.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 9, p. 1, doi. 10.1002/qua.26602
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- Article
4
Structural, electronic, elastic, magnetic and thermodynamic properties of Mn<sub>2</sub>LuZ (Z = B, Al, Ga and In) Heusler compounds: A first‐principle study.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 9, p. 1, doi. 10.1002/qua.26601
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5
Salen type additives as corrosion mitigator for Ni–W alloys: Detailed electronic/atomic‐scale computational illustration.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 9, p. 1, doi. 10.1002/qua.26600
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6
Sulfur impurity level in the O‐rich ZnS<sub>x</sub>O<sub>1</sub><sub>−x</sub> alloy obtained by first principle calculations.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 9, p. 1, doi. 10.1002/qua.26604
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7
Canonical versus explicitly correlated coupled cluster: Post‐complete‐basis‐set extrapolation and the quest of the complete‐basis‐set limit.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 9, p. 1, doi. 10.1002/qua.26598
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8
A method for analyzing the cyclic electron delocalization interaction between different rings in polycyclic molecules.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 9, p. 1, doi. 10.1002/qua.26597
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9
A first‐principles study on improvement of photoinjection in organic dyes.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 9, p. 1, doi. 10.1002/qua.26596
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- Article
10
Triple‐ring tubular MB<sub>36</sub> (M = Mg, Ca, Sr, Ba) with threefold aromaticity.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 9, p. 1, doi. 10.1002/qua.26595
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- Article
11
Topological indices and QSPR/QSAR analysis of some antiviral drugs being investigated for the treatment of COVID‐19 patients.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 9, p. 1, doi. 10.1002/qua.26594
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- Article
12
Benchmarking anisotropic polarizabilities for 14 (hetero)‐aromatic molecules at RPA, RPA(D), HRPA, HRPA(D), SOPPA, SOPPA(CC2), SOPPA(CCSD), CC2, CCSD and CC3 levels.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 9, p. 1, doi. 10.1002/qua.26593
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13
Extremal k ‐uniform hypertrees on incidence energy.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 9, p. 1, doi. 10.1002/qua.26592
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14
On the adsorption affinity of graphene and white graphene sheets by dioxin‐like pollutants.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 9, p. 1, doi. 10.1002/qua.26591
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15
Theoretic quantum analysis of mechanical and electronic properties of TiAl‐M (M = Mo, W, Cu and Zn).
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 9, p. 1, doi. 10.1002/qua.26590
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- Publication type:
- Article
16
Cover Image, Volume 121, Issue 9.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 9, p. 1, doi. 10.1002/qua.26296
- Publication type:
- Article
17
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 9, p. 1, doi. 10.1002/qua.26295
- Publication type:
- Article