Electromers of the benzene dimer radical cation.
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Summary
The well-studied benzene dimer radical cation, which is prototypical for this class of species, has been reinvestigated computationally and it turned out that both the σ-hemibonded and the half-shifted sandwich structures of the benzene cation represent stationary points on the B2PLYP-D potential energy surfaces.
- Type
- book
- Published
- 2015-04-08
- Cited by
- 6
- References
- 40
- Access
- Open access
- OpenAlex
- https://openalex.org/W25804703
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:13321249
Keywords
Economic Justice, Law, Political science, Criminal justice, Prison
References
- How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers?
- Effect of Basis Set Superposition Error (BSSE) upon ab Initio Calculations of Organic Transition States
- Double-hybrid density functionals with long-range dispersion corrections: higher accuracy and extended applicability.
- Formation of benzene dimer cations in neat liquid benzene studied by femtosecond transient absorption spectroscopy
- Recent advances in small organic molecules as DNA intercalating agents: synthesis, activity, and modeling.
- Charge localization and Jahn-Teller distortions in the benzene dimer cation.
- Systematic optimization of long-range corrected hybrid density functionals.
- Dimer radical cations of indole and indole-3-carbinol: localized and delocalized radical cations of diindolylmethane.
- Isomerism: the same but different.
- On the molecular mechanism of drug intercalation into DNA: a simulation study of the intercalation pathway, free energy, and DNA structural changes.
- Absorption spectra of dimer cations. Part 2.—Benzene derivatives
- Toward a more complete understanding of noncovalent interactions involving aromatic rings.
- Benzene Dimer: High-Level Wave Function and Density Functional Theory Calculations.
- Theoretical thermodynamics for large molecules: walking the thin line between accuracy and computational cost.
- Electronic structure of the benzene dimer cation.
- The ORCA program system
- Gaussian-4 theory.
- Calculation of the Jahn-Teller effect in benzene cation: Application to spectral analysis
- Semiempirical hybrid density functional with perturbative second-order correlation.
- Ion chemistry of anti-o,o dibenzene.
Cited by
- Ultrafast Charge Recombination Dynamics in Ternary Electron Donor-Acceptor Complexes: (Benzene)2-Tetracyanoethylene Complexes.
- Aryltrimethylstannane Cation Radical Fragmentation Selectivities That Depend on Codonor: Evidence for Reactions from Heterodimer Cation Radicals.
- Can Carbamates Undergo Radical Oxidation in the Soil Environment? A Case Study on Carbaryl and Carbofuran.
- Density functional theory and ab initio studies on hyperfine coupling constants of phosphinyl radicals
- Formation of the Charge-Localized Dimer Radical Cation of 2-Ethyl-9,10-dimethoxyanthracene in Solution Phase.
- Introducing the new concept of a chiral-polaron giant-IRAV signature, optical-active giant-response in vibrational circular dichroism.
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