Works matching IS 1432881X AND DT 2018 AND VI 137 AND IP 5
Results: 10
Substituents’ influence on the C-H···π interaction in the T-shaped benzene dimer.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 5, p. 1, doi. 10.1007/s00214-018-2249-5
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Radical scavenging activity of ascorbic acid analogs: kinetics and mechanisms.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 5, p. 1, doi. 10.1007/s00214-018-2252-x
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Ab initio studies of the van der Waals complex CH<sub>4</sub>-O<sub>2</sub>. CH···O and CX···O interactions in halomethane X<sub>n</sub>CH<sub>4−n</sub>-O<sub>2</sub> complexes (X = F, Cl; n = 1, 2, 3)
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 5, p. 1, doi. 10.1007/s00214-018-2250-z
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Theoretical investigation of the superoxide anion free radical elimination by quercetin-metal complexes.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 5, p. 1, doi. 10.1007/s00214-018-2248-6
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Insights into the bonding between tributylphosphine chalcogenides and zinc(II).
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 5, p. 1, doi. 10.1007/s00214-018-2245-9
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Conceptual DFT study of the local chemical reactivity of the dilysyldipyrrolones A and B intermediate melanoidins.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 5, p. 1, doi. 10.1007/s00214-018-2244-x
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Ground-state energy for confined H<sub>2</sub>: a variational approach.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 5, p. 1, doi. 10.1007/s00214-018-2243-y
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Effect of electron-withdrawing terminal group on BDT-based donor materials for organic solar cells: a theoretical investigation.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 5, p. 1, doi. 10.1007/s00214-018-2242-z
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Aromatic sulfur compounds oxidation with H<sub>2</sub>O<sub>2</sub> over fully coordinated and defect sites in Ti-beta zeolites: evaluation by density functional theory.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 5, p. 1, doi. 10.1007/s00214-018-2241-0
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Computational approach to study the influence of Mn, Fe, and Ni as additives toward rubber-brass adhesion.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 5, p. 1, doi. 10.1007/s00214-018-2240-1
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