Quantum computing hardware in the cloud: Should a computational chemist care?
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 14, p. 1, doi. 10.1002/qua.26688
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Works matching IS 00207608 AND DT 2021 AND VI 121 AND IP 14
Results: 12
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The effect of vacancy defect on quantum capacitance, electronic and magnetic properties of Sc<sub>2</sub>CF<sub>2</sub> monolayer.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 14, p. 1, doi. 10.1002/qua.26666
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- Article
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Atomic charge distribution functions as a tool to analyze electronic structure of molecular and cluster systems.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 14, p. 1, doi. 10.1002/qua.26665
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In silico search for planar hexacoordinate silicon atom: A kinetically viable species.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 14, p. 1, doi. 10.1002/qua.26664
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- Article
5
Non‐adiabatic dynamic of atmospheric unimolecular photochemical reactions of 4,4‐difluoro‐crotonaldehyde using TD‐DFT and TSH approaches.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 14, p. 1, doi. 10.1002/qua.26663
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- Article
6
TD‐DFT absorption spectrum of Azure A in aqueous solution: Vibronic transitions and electronic properties.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 14, p. 1, doi. 10.1002/qua.26662
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- Article
7
Arsenene, antimonene and bismuthene as anchoring materials for lithium‐sulfur batteries: A computational study.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 14, p. 1, doi. 10.1002/qua.26661
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- Article
8
Effects of microstructural tailoring on Na storage performance of graphene.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 14, p. 1, doi. 10.1002/qua.26660
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- Article
9
Atomistic insights into lithium adsorption and migration on phosphorus‐doped graphene.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 14, p. 1, doi. 10.1002/qua.26659
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- Article
10
The cage‐like structure enhanced magnetic moment in ScK<sub>n</sub> (n = 2–12) clusters: A first‐principles jointed particle swarm optimization investigation.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 14, p. 1, doi. 10.1002/qua.26654
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- Article
11
Cover Image, Volume 121, Issue 14.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 14, p. 1, doi. 10.1002/qua.26306
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- Article
12
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 14, p. 1, doi. 10.1002/qua.26305
- Publication type:
- Article