Works matching IS 1432881X AND DT 2021 AND VI 140 AND IP 12
Results: 8
X-ray emission spectroscopy: a genetic algorithm to disentangle core–hole-induced dynamics.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 12, p. 1, doi. 10.1007/s00214-021-02859-1
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Study on graphene-like monolayer ZnS<sub>1−x</sub>O<sub>x</sub>: structural and optoelectronic properties.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 12, p. 1, doi. 10.1007/s00214-021-02858-2
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Electrons as an environment for nuclei within molecules: a quantitative assessment of their contribution to a classical-like molecular structure.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 12, p. 1, doi. 10.1007/s00214-021-02857-3
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Alkali metal chlorides in DMSO–methanol binary mixtures: insights into the structural properties through molecular dynamics simulations.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 12, p. 1, doi. 10.1007/s00214-021-02856-4
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Effect of donor and acceptor on optoelectronic properties of benzo[1,2-b:4,5-b′]dithiophene.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 12, p. 1, doi. 10.1007/s00214-021-02855-5
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A global analysis of excited states: the global transition contribution grids.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 12, p. 1, doi. 10.1007/s00214-021-02854-6
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Photoexcitation of cresyl violet dye in aqueous solution: TD-DFT study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 12, p. 1, doi. 10.1007/s00214-021-02853-7
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On the doping of the Ga<sub>12</sub>As<sub>12</sub> cluster with groups p and d atomic impurities.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 12, p. 1, doi. 10.1007/s00214-021-02846-6
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