Radical scavenging activity of ascorbic acid analogs: kinetics and mechanisms.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 5, p. 1, doi. 10.1007/s00214-018-2252-x
- By:
- Publication type:
- Article
Works in Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, Vol 137, Issue 5
Results: 10
1
2
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)
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 5, p. 1, doi. 10.1007/s00214-018-2250-z
- By:
- Publication type:
- Article
3
Substituents’ influence on the C-H···π interaction in the T-shaped benzene dimer.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 5, p. 1, doi. 10.1007/s00214-018-2249-5
- By:
- Publication type:
- Article
4
Theoretical investigation of the superoxide anion free radical elimination by quercetin-metal complexes.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 5, p. 1, doi. 10.1007/s00214-018-2248-6
- By:
- Publication type:
- Article
5
Insights into the bonding between tributylphosphine chalcogenides and zinc(II).
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 5, p. 1, doi. 10.1007/s00214-018-2245-9
- By:
- Publication type:
- Article
6
Conceptual DFT study of the local chemical reactivity of the dilysyldipyrrolones A and B intermediate melanoidins.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 5, p. 1, doi. 10.1007/s00214-018-2244-x
- By:
- Publication type:
- Article
7
Ground-state energy for confined H<sub>2</sub>: a variational approach.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 5, p. 1, doi. 10.1007/s00214-018-2243-y
- By:
- Publication type:
- Article
8
Effect of electron-withdrawing terminal group on BDT-based donor materials for organic solar cells: a theoretical investigation.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 5, p. 1, doi. 10.1007/s00214-018-2242-z
- By:
- Publication type:
- Article
9
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.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 5, p. 1, doi. 10.1007/s00214-018-2241-0
- By:
- Publication type:
- Article
10
Computational approach to study the influence of Mn, Fe, and Ni as additives toward rubber-brass adhesion.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 5, p. 1, doi. 10.1007/s00214-018-2240-1
- By:
- Publication type:
- Article