Found: 14
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Application of discrete solvent reaction field to second-order susceptibility of organic molecular crystal.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 7, p. 1, doi. 10.1007/s00214-016-1938-1
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- Article
On the performance of range-separated hybrid in computations of dynamic quadratic polarizability of solution-phase organic molecules: a comparison to MP2(Full) calculation.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 1, p. 1, doi. 10.1007/s00214-014-1589-z
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- Article
Assessment of the global and range-separated hybrids for computing the dynamic second-order hyperpolarizability of solution-phase organic molecules.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2014, v. 133, n. 2, p. 1, doi. 10.1007/s00214-013-1439-4
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- Article
Fluorinated Pentafulvalene-Fused Hole-Transporting Material Enhances the Performance of Perovskite Solar Cells with Efficiency Exceeding 23%.
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- Advanced Functional Materials, 2023, v. 33, n. 48, p. 1, doi. 10.1002/adfm.202306367
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- Article
Solvation model effects on the static first hyperpolarizability of a push–pull π‐conjugated molecule.
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- Journal of the Chinese Chemical Society, 2024, v. 71, n. 9, p. 1045, doi. 10.1002/jccs.202400059
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- Article
Quantum mechanics/fluctuating charge calculations for absorption spectra of aqueous green fluorescent protein chromophore.
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- Journal of the Chinese Chemical Society, 2023, v. 70, n. 5, p. 1102, doi. 10.1002/jccs.202300053
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- Article
Computational analysis of geometric structures and edge‐termination effects of boron‐nitride and edge‐termination boron‐nitride nanoribbons.
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- Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 317, doi. 10.1002/jccs.202200527
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- Article
The role of distributed atomic point charges and polarizabilities of solvent molecules on one‐ and two‐photon absorption spectra of aqueous p‐nitroaniline.
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- Journal of the Chinese Chemical Society, 2021, v. 68, n. 3, p. 429, doi. 10.1002/jccs.202000439
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- Article
Synthesis, Structural Characterization and Hirshfeld Surface Analysis of a 2D Coordination Polymer, [Co(4-dpds)(bdc)(H2O)2] 4-dpds.
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- Crystals (2073-4352), 2020, v. 10, n. 5, p. 419, doi. 10.3390/cryst10050419
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- Article
Fluorination of Star‐Shaped Cyclopenta[2,1‐b;3,4‐b′]dithiophene Derivatives and Its Application as Hole‐Transporting Materials in Scalable Perovskite Solar Cell Fabrication by Bar Coating.
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- Solar RRL, 2024, v. 8, n. 8, p. 1, doi. 10.1002/solr.202300988
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- Article
Fluorination of Star‐Shaped Cyclopenta[2,1‐b;3,4‐b′]dithiophene Derivatives and Its Application as Hole‐Transporting Materials in Scalable Perovskite Solar Cell Fabrication by Bar Coating.
- Published in:
- Solar RRL, 2024, v. 8, n. 8, p. 1, doi. 10.1002/solr.202300988
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- Publication type:
- Article
Detection of nitrofurazone with metal–organic frameworks and reduced graphene oxide composites: insights from molecular dynamics simulations.
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- Microchimica Acta, 2023, v. 190, n. 6, p. 1, doi. 10.1007/s00604-023-05829-5
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- Article
Cytotoxicity studies of 2-hydroxymethyl-1-naphthol diacetate on K<sup>+</sup> currents in neoplastic plasma cells.
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- Drug Development Research, 1999, v. 47, n. 1, p. 1, doi. 10.1002/(SICI)1098-2299(199905)47:1<1::AID-DDR1>3.0.CO;2-#
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- Article
Computational study of static first hyperpolarizability of donor-acceptor substituted ( E)-benzaldehyde phenylhydrazone.
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- Journal of Computational Chemistry, 2011, v. 32, n. 4, p. 730, doi. 10.1002/jcc.21667
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- Article