Search results for "40"

Theoretical investigation of the spin crossover transition states of the addition of methane to a series of Group 6 metallocenes using minimum energy…

2016

International audience; Density functional calculations are reported on the addition of methane to Group 6 metallocenes, M(η-C5H5)2 (M), M(CH2(η-C5H4)2) (a-M) and M(η-C5Me5)2 (M*) where M = Mo and W. Full geometry optimisations were carried out on the singlet and triplet 16 electron complexes, 1[M] and 3[M], the η2-methane complexes, 1[M(η2-CH4)], and the hydridomethyl adducts, 1[M(CH3)(H)]. The triplet state for [M] was found to be more stable for all six metallocenes, the difference being least in the case of the ansa-bridged system. Formation of the hydridomethyl complexes was exoenergetic for all tungsten systems and for a-Mo, the other two Mo systems being endoenergetic. Minumum energy…

Cobalt Clusters with Cubane-Type Topologies Based on Trivacant Polyoxometalate Ligands.

2016

Four novel cobalt-substituted polyoxometalates having cobalt cores exhibiting cubane or dicubane topologies have been synthesized and characterized by IR, elemental analysis, electrochemistry, UV-vis spectroscopy, X-ray single-crystal analysis, and magnetic studies. The tetracobalt(II)-substituted polyoxometalate [Co4(OH)3(H2O)6(PW9O34)](4-) (1) consists of a trilacunary [B-α-PW9O34](9-) unit which accommodates a cubane-like {Co(II)4O4} core. In the heptacobalt(II,III)-containing polyoxometalates [Co7(OH)6(H2O)6(PW9O34)2](9-) (2), [Co7(OH)6(H2O)4(PW9O34)2]n(9n-) (3), and [Co7(OH)6(H2O)6(P2W15O56)2](15-) (4), dicubane-like {Co(II)6Co(III)O8} cores are encapsulated between two heptadentate [B…

Transnational bodies: Embodiment of transnational settings

2016

AbstractThe everyday life of more and more people is characterized by transnationalism. People increasingly interact across borders and in a network of transnational relationships. While interactions may be border-crossing, the actors’ body remains situated and limited in time and space. However, the thesis of this paper is that transnationalism processes are embodied. Thus, we speak of an embodiment of transnational settings. We focus on symbolic interactionism – Charles H. Cooley and George H. Mead in particular provide a large repertoire of concepts – to theoretically conceive transnational bodies. To show how transnational embodiment can manifest itself we use the example of young peopl…

Reactivity of di-n-butyl-dicyclopentadienylzirconium towards amido stabilized stannylenes

2009

Abstract Reaction of Sn[(N(C 6 H 3 i Pr 2 -2,6)(SiMe 3 )] 2 and [{Sn(N(C 6 H 3 i Pr 2 -2,6)(SiMe 3 )(μ-Cl) 2 ] with di- n -butyl-dicyclopentadienylzirconium yielded the trimetallic a carbene-like complex {[(N(C 6 H 3 i Pr 2 -2,6)(SiMe 3 )]( n -Bu)Sn} 2 Cp 2 Zr. The oxidation of {[(N(C 6 H 3 i Pr 2 -2,6)(SiMe 3 )]( n -Bu)Sn} 2 Cp 2 Zr by oxygen gives the five-membered dioxadistannazirconacyclic complex {[(N(C 6 H 3 i Pr 2 -2,6)(SiMe 3 )]( n -Bu)Sn} 2 O 2 Cp 2 Zr.

Two-photon absorption of BF2-carrying compounds: insights from theory and experiment

2017

This communication presents a structure–property study of a few novel pyridine-based difluoroborate compounds with a N–BF2–O core, which exhibit outstanding fluorescence properties. To exploit their potential for two-photon bioimaging, relationships between the two-photon action cross section and systematic structural modifications have been investigated and unravelled.

Superiority of Optimized Portfolios to Naive Diversification: Fact or Fiction?

2017

Abstract DeMiguel, Garlappi, and Uppal (2009) conducted a highly influential study where they demonstrated that none of the optimized portfolios consistently outperformed the naive diversification. This result triggered a heated debate within the academic community on whether portfolio optimization adds value. Nowadays several studies claim to defend the value of portfolio optimization. The commonality in all these studies is that various portfolio optimization methods are implemented using the datasets generously provided by Kenneth French and the performance is measured by means of the Sharpe ratio. This paper aims to provide a cautionary note regarding the use of Kenneth French datasets …

Optimal Dynamic Portfolio Risk Management

2016

Numerous econometric studies report that financial asset volatilities and correlations are time-varying and predictable. Over the past decade, this knowledge has stimulated increasing interest in various dynamic portfolio risk control techniques. The two basic types of risk control techniques are: risk control across assets and risk control over time. At present, the two types of risk control techniques are not implemented simultaneously. There has been surprisingly little theoretical study of optimal dynamic portfolio risk management. In this paper, the author fills this gap in the literature by formulating and solving the multi-period portfolio choice problem. In terms of dynamic portfoli…

Research Regarding the Physical-Mechanical Properties of Knits for Garments – Abrasion Resistance

2017

Abstract During wear, the fabric is subjected to a complex combination of forces acting at various rates, in various intensities, in various directions and for various periods. This is one of the main causes of a fabric and garment becoming unacceptable for further wear. The main goal of this research paper is to improve the physical-mechanical properties of knits for garments by choosing the right fabric structure and raw material. The abrasion resistance is a mechanical deterioration and progressive loss of substance from a fabric, resulting from the fabric rubbing against itself or another surface. Tests was done on weft knitted fabric for garments using cotton, wool and mixed yarns, thr…

Rigid Closed‐Cell PUR Foams Containing Polyols Derived from Renewable Resources: The Effect of Polymer Composition, Foam Density, and Organoclay Fill…

2017

Die lebende anionische Polymerisation

2017

Zusammenfassung Vor sechzig Jahren entdeckte Michael Szwarc die lebende anionische Polymerisation. Trotz ihrer hohen synthetischen Anforderungen ist sie bis heute die praziseste Methode zur Herstellung von wohldefinierten Polymeren und inspirierte zahlreiche neue Polymerisationsmethoden. Masgeschneiderte Blockcopolymere finden sich in den verschiedensten Anwendungen von High-End-Verpackungsmaterialien uber die Elektronik bis hin zu Nanomedizin.