Intermolecular Coulomb couplings from ab initio electrostatic potentials: Application to optical transitions of strongly coupled pigments in photosynthetic antennae and reaction centers

Article Abstract:

An accurate and numerically efficient method is developed for calculating the intermolecular Coulomb couplings between charge densities of electronic states and between transition densities of electronic excitations. A relative shift in local excitation energies results from the intermolecular charge density coupling that can be in the same order of magnitude as the excitonic coupling.

Cyclic crudes and intermediates, Synthetic Organic Dye and Pigment Manufacturing, Organic Pigments, Organic Colorants, Bacteria, Photosynthetic, Photosynthetic bacteria, Intermolecular forces, Chemical properties, Energy transformation

---

Hyperfine interactions in La@C82 studied by W-Band electron paramagnetic resonance and electron nuclear double resonance

Article Abstract:

Analysis of electron paramagnetic resonance (EPR) and electron nuclear double resonance (ENDOR) obtained at different electron Larmor frequencies even at low temperatures reveal no changes at the binding site of the encased ion. This helps in understanding the electronic structure of the complex predictions of oxidations.

Usage, Oxidation-reduction reaction, Oxidation-reduction reactions, Chemistry, Physical and theoretical, Physical chemistry, Electron paramagnetic resonance, Electron configuration

---

Similar abstracts:

• Abstracts: Probing the contribution of electronic coupling to the directionality of electron transfer in photosynthetic reaction centers
• Abstracts: Calculation of standard formation properties of species from standard transformed formation properties of reactants in biochemical reactions at specified pH
• Abstracts: A speading technology. Profit potential: properly positioning adjuvants can lead to more dollars for retailers
• Abstracts: Factors governing the three-dimensional hydrogen bond network structure of poly (m-phenylene isopthalamide) and a series of its model compounds. 3. Energy terms indispensable to the crystal structure prediction.
• Abstracts: Infrared study of ozone adsorption on CeO2. Effect of chemical structure on the adsorption of amino acids with aliphatic and aromatic substitution groups: in situ STM study

This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.