Found: 19
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Molecular adsorption on coinage metal subnanoclusters: A DFT+D3 investigation.
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- Journal of Computational Chemistry, 2023, v. 44, n. 10, p. 1040, doi. 10.1002/jcc.27063
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- Article
Assessment of the van der Waals, Hubbard U parameter and spin‐orbit coupling corrections on the 2D/3D structures from metal gold congeners clusters.
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- Journal of Computational Chemistry, 2022, v. 43, n. 4, p. 230, doi. 10.1002/jcc.26784
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- Article
In Silico Design of Cylindrophanes: The Role of Functional Groups in a Fluoride Selective Host.
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- ChemPhysChem, 2020, v. 21, n. 17, p. 1989, doi. 10.1002/cphc.202000321
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- Article
Helicenes as Molecular Tweezers in the Formation of Cation−π Complexes. Bonding and Circular Dichroism Properties from Relativistic DFT Calculations.
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- ChemPhysChem, 2018, v. 19, n. 18, p. 2321, doi. 10.1002/cphc.201800470
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- Article
On the cation–π capabilities of small all sp<sup>2</sup>‐carbon host structures. Evaluation of [6.8]<sub>3</sub>cyclacene from relativistic DFT calculations.
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 4, p. N.PAG, doi. 10.1002/qua.25811
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- Article
The ability of Ex<sup>2</sup>Box<sup>4+</sup> to interact with guests containing π‐electron‐rich and π‐electron‐poor moieties.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 15, p. 1, doi. 10.1002/qua.25607
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- Article
Hydrogen bond and the resonance effect on the formamide-water complexes.
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- International Journal of Quantum Chemistry, 2012, v. 112, n. 5, p. 1401, doi. 10.1002/qua.23124
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Isatin-Schiff base copper(II) complexes-A DFT study of the metal-ligand bonding situation.
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- International Journal of Quantum Chemistry, 2012, v. 112, n. 2, p. 625, doi. 10.1002/qua.23030
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- Article
Bond Analysis in Dihalogen--Halide and Dihalogen--Dimethylchalcogenide Systems.
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- European Journal of Inorganic Chemistry, 2018, v. 2018, n. 8, p. 1007, doi. 10.1002/ejic.201701337
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- Article
Hydrazine decomposition on a small platinum cluster: the role of N2H5 intermediate.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 3, p. 1, doi. 10.1007/s00214-016-1816-x
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- Article
Rational design of promising candidates for photoactive layer in polymer solar cells: Insights from computation.
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- Journal of Physical Organic Chemistry, 2024, v. 37, n. 7, p. 1, doi. 10.1002/poc.4586
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- Article
Gas-phase fragmentation reactions of protonated cocaine: New details to an old story.
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- Journal of Mass Spectrometry, 2018, v. 53, n. 3, p. 203, doi. 10.1002/jms.4053
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- Article
Spectroscopical and Molecular Studies of Four Manganese(I) PhotoCORMs with Bioinspired Ligands Containing Non-Coordinated Phenol Groups.
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- Molecules, 2023, v. 28, n. 8, p. 3439, doi. 10.3390/molecules28083439
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- Article
Evaluation of Electron Donation as a Mechanism for the Stabilisation of Chalcogenate-Protected Gold Nanoclusters.
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- ChemPhysChem, 2016, v. 17, n. 19, p. 3102, doi. 10.1002/cphc.201600552
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- Article
Exploring Synthetic Dihydrobenzofuran and Benzofuran Neolignans as Antiprotozoal Agents against Trypanosoma cruzi.
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- Pharmaceutics, 2023, v. 15, n. 3, p. 754, doi. 10.3390/pharmaceutics15030754
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- Article
Green and Red Brazilian Propolis: Antimicrobial Potential and Anti‐Virulence against ATCC and Clinically Isolated Multidrug‐Resistant Bacteria.
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- Chemistry & Biodiversity, 2021, v. 18, n. 8, p. 1, doi. 10.1002/cbdv.202100307
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In Vivo and in Silico Trypanocidal Activity Evaluation of (−)‐Cubebin Encapsulated in PLGA Microspheres as Potential Treatment in Acute Phase.
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- Chemistry & Biodiversity, 2021, v. 18, n. 6, p. 1, doi. 10.1002/cbdv.202100052
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Evaluation of Lignans from Piper cubeba against Schistosoma mansoni Adult Worms: A Combined Experimental and Theoretical Study.
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- Chemistry & Biodiversity, 2019, v. 16, n. 1, p. N.PAG, doi. 10.1002/cbdv.201800305
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Copaifera duckei Oleoresin and Its Main Nonvolatile Terpenes: In Vitro Schistosomicidal Properties.
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- Chemistry & Biodiversity, 2016, v. 13, n. 10, p. 1348, doi. 10.1002/cbdv.201600065
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