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Molecular heterojunctions, such as the one based on copper phthalocyanine (CuPc) and carbon fullerene (C-60) molecules, are commonly employed in organic photovoltaic cells as electron donor-acceptor pairs. We have investigated the different atomic structur ...
The genera Desulfotomaculum and Clostridium, belonging to the phylum Firmicutes, comprise Gram-positive, low G+C genomic content, anaerobic, spore- forming bacteria. Desulfotomaculum is a metabolically and environmentally versatile genus capable of growing ...
STM conductance spectroscopy and mapping has been used to analyze the impact of molecular adsorption on the quantized electronic structure of individual metal nanoparticles. For this purpose, isophorone and CO2, as prototype molecules for physisorptive and ...
NiII complexes of the new pincer amidobis(amine) ligand are described. The Ni chloride complex catalyzes Kumada-Corriu-Tamao coupling of unactivated alkyl halides with alkyl Grignard reagents, as well as double C-C coupling of CH2Cl2 with alkyl Grignard re ...
The facile synthesis of anionic bipyridyl ligands with dinuclear clathrochelate cores is described. These metalloligands can be obtained in high yields by the reactions of M(ClO4)(2)(H2O)(6) (M: Zn, Mn, or Co) with 4-pyridylboronic acid and 2,6-diformyl-4- ...
Mn2+ complexes represent an alternative to Gd3+ chelates which are widely used contrast agents in magnetic resonance imaging. In this perspective, the authors studied the Mn2+ complexes of two 12-membered, pyridine-contg. macrocyclic ligands bearing one pe ...
Organohalide respiration (OHR) is a bacterial anaerobic energy metabolism that uses many chlorinated organic compounds as terminal electron donors. The process is catalyzed by a class of complex redox enzymes called reductive dehalogenases which harbour a ...
A wide variety of physicochemical processes at a molecular level, in particular charge or energy transfer, electronic and vibrational relaxation, are at the origin of biological functionality of proteins and organometallic compounds. The work reported in t ...
Investigations of ruthenium halfsandwich complexes have mostly focused on Cp and Cp* based derivatives due to the availability of easily accessible starting materials. However, it is interesting to have complexes with substituted cyclopentadienyl ligands i ...
This thesis is devoted to the study of the activation mechanism of G-protein coupled receptors (GPCRs), one of the largest and most diverse protein families in mammalian genomes, by means of different computer-based simulation techniques. Using force field ...
