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showing 10 items of 1035 documents
A Density Functional Study of Open-Shell Cyclopentadienyl−Molybdenum(II) Complexes. A Comparison of Stabilizing Factors: Spin-Pairing, Mo−X π Bonding…
2000
International audience; The dissociation of PH3 from the 18-electron system CpMoX(PH3)3 to afford the corresponding 16-electron CpMoX(PH3)2 fragment has been investigated theoretically by density functional theory for X = H, CH3, F, Cl, Br, I, OH, and PH2. The product is found to prefer a triplet spin state for all X ligands except PH2, the singlet−triplet gap varying between 1.7 kcal/mol for OH to 8.7 kcal/mol for F. The Mo−PH3 bond dissociation energy to the 16-electron ground state varies dramatically across the series, from 4.5 kcal/mol for OH to 23.5 kcal/mol for H, and correlates with experimental observations on trisubstituted phosphine derivatives. Geometry-optimized spin doublet Cp…
Mbandakamine-Type Naphthylisoquinoline Dimers and Related Alkaloids from the Central African Liana Ancistrocladus ealaensis with Antiparasitic and An…
2018
Four new dimeric naphthylisoquinoline alkaloids, michellamine A5 (2) and mbandakamines C–E (4–6), were isolated from the Congolese plant Ancistrocladus ealaensis, along with the known dimer mbandakamine A (3). They represent constitutionally unsymmetric dimers, each consisting of two 5,8′-coupled naphthylisoquinoline monomers. While the molecular halves of michellamine A5 (2) are linked via C-6′ of both of the naphthalene moieties, i.e., via the least-hindered positions, so that the central biaryl axis is configurationally unstable and not an additional element of chirality, the mbandakamines 3–6 possess three consecutive stereogenic axes. Their monomeric units are linked through an unprece…
The Generation Effect: Cavity Accessibility in Dense‐Shell Polyphenylene Dendrimers
2014
Size exclusion is a widespread phenomenon in supra- and macromolecular chemistry. Herein, the size exclusion properties of polyphenylene dendrimers on the surface of high fundamental frequency quartz crystal microbalances are reported. For this purpose, a new dense fifth-generation polyphenylene dendrimer, which was previously not possible owing to the high steric demand of the dendron arms, was synthesized. By increasing the volume and size of subjected analytes an affinity shift from smaller to larger dendrimers can be obtained.
Veniet Tempus (QNat.7.25): Stoic Philosophy and Roman Genealogy in Seneca's View of Scientific Progress
2014
Seneca's views on the future development of knowledge have often been interpreted as an enlightened anticipation of the modern faith in progress. And Seneca himself has been depicted as a sort of Condorcet avant la lettre. In the present paper, I argue that while it is extremely interesting to investigate the reception of Senecan patterns in modern thought, the writer's idea of scientific and moral enhancement should primarily be understood in the intellectual and socio-anthropological framework of ancient culture. Indeed, a reassessment of the evidence offered by the Natural Questions and the Moral Epistles shows that Seneca devises a broadly conceived spectrum of progress, which reflects …
Tiedemiehiä ja tiedon rajoja : fantastisen merkitys Frankensteinissa ja Draculassa
2005
INVESTIGATIONS OF STRAIN AND STRESS STATE AND CAPACITY IN SHORT CYLINDRICAL SHELLS UNDER INTERNAL PRESSURE
1989
In the paper it has been assumed that a triaxial stress and strain state occurs in a shell. The finite element method was used and owing to that digitization of the problem was possible. Such digitization was necessary for a numerical analysis of the moment stress state in the shell. On the ground of physical relations of the Prandtl-Reuss plastic flow theory an algorithm was formulated. The algorithm was a basis of calculating strains and stresses and determining capacity in a short cylindrical shell with rigid bottoms. The shell was subject to internal pressure. Experiments were carried out, as well. The results obtained with: equations of the membraneous shell theory, using plastic flow …
First observation of excited states in 108Sb
1995
A spectroscopic study of Sb-108 has been carried out as a part of a larger experiment where in total twenty-nine different residual nuclei were identified. This study gives the first information on excited levels in this nucleus. A low-lying two-quasi-particle multiplet together with some of the higher lying levels are discussed within the framework of the nuclear shell model. A rotational, strongly coupled, band is identified as, most likely, being built on the deformed pig9/2(-1) nuh11/2 configuration in accordance with total routhian surface calculations. Tentative spins and parities are presented as well as B(M1)/B(E2) ratios for some of the transitions in the strongly coupled band.
Minute co-variations of Sr/Ca ratios and microstructures in the aragonitic shell of Cerastoderma edule (Bivalvia) – Are geochemical variations at the…
2017
Abstract It remains a challenging task to reconstruct water temperatures from Sr/Ca ratios of bivalve shells. Although in many aragonitic species, Sr/Ca is negatively correlated to temperature – which is expected based on abiogenic precipitation experiments, the incorporation of Sr into the shell of bivalves is strongly controlled by physiological processes and occurs away from the predicted thermodynamic equilibrium. Strontium-to-calcium ratios of aragonitic shells remain far below that of the ambient water. Moreover, Sr concentrations vary considerably among shell portions consisting of different microstructures and/or organic content. Values observed at annual growth lines and within the…
HyperShell: An expert system shell in a hypermedia environment—application in medical audiology
1990
HyperShell is an expert system shell developed in a hypermedia environment. Several artificial intelligence techniques such as frames and semantic networks are used in an original interpretation to enhance the interaction between the user and the program. The typical navigation tools of hypermedia such as clickable buttons and text search are extended to the semantic structure of HyperShell, creating a set of new tools. Examples from a medical expert system (Audex HM) developed in HyperShell are described.