329 research outputs found
Pseudohalide-Controlled Assemblies of Copper-Schiff Base Complexes with an Encapsulated Sodium Ion: Synthesis, Crystal Structure, and Computational Studies
No full textThree new hetero-bimetallic coordination complexes [Na-(CuIIL1)2](ClO4)·0.5H2O (1), [Na(CuIIL2)2][CuI2(μ1,3-NCS)3]n
(2), and {[Na(CuIIL3)2](μ1,5-dca)}n (3; dca = dicyanamide) have been synthesized by using different Schiff base ligands [e.g., L1H2 = N,N=-bis(3-methoxysalicylidenimino)-1,3-diaminopentane, L2H2 = N,N=-bis(3-ethoxysalicylidenimino)- 1,3-diaminopropane, and L3H2 = N,N=-bis(5-bromo-3-methoxysalicylidenimino)-1,3-diaminopropane] in the presence
of pseudohalide coligands N3–, SCN–, and N(CN)2– (dca),respectively. The ligands and the complexes have been characterized
by microanalytical and spectroscopic techniques. The structures of the complexes, determined by single-crystal X-ray diffraction studies, show that in all cases a trinu-clear Na(CuIIL)2 unit is formed, but of different configurations. 1 does not include N3– anions. In contrast, in 2, SCN– extrudes partial in situ reduction of CuII to lead to the formation of an infinite [CuI
2(μ1,3-NCS)3]n anionic chain; and in 3, N(CN)2– bridges the metal–ligand assemblies to form a 1D polymeric chain. ESI-MS, UV/Vis spectroscopy, and cyclic voltammetry were performed to investigate the solution-state behavior of the complexes. Theoretical calculations of the optimized geometries of the complexes were carried out at the BLYP/DNP level to determine their relative stabilities from the HOMO–LUMO gap and chemical softness values
Correction to: Visual acuity correlates with multimodal imaging-based categories of central serous chorioretinopathy (Eye, (2021), 10.1038/s41433-021-01788-4)
No full textIn this article the author name Ramesh Venkatesh was incorrectly written as Ramesh Vankatesh. The original article has been corrected
A novel design for an RF MEMS resistive switch on PCB substrate
No full textCopyright @ 2008 Stimulation Action on MEM
Knowledge sharing strategies for Project Knowledge Management in the automotive sector
No full textProject Knowledge Management is regarded as a field of increasing importance for both researchers and organisations. This led Volvo Technology, the innovation business unit within a Swedish automotive multinational corporation, to explore through a qualitative case study how Project Knowledge Management could be improved to support knowledge sharing between projects within the organisation. The current situation of Project Knowledge Management is described through a developed theoretical framework and with input from thirteen semi-structured interviews conducted and analysed in an iterative fashion. The description shows that the contributor employs the codification strategy to share knowledge with other projects while the receiver adapts a personalisation strategy to retrieve knowledge from other projects. This description was analysed and compared with current research through brainstorming. Since there are current initiatives within the organisation to improve the codification strategy, this research focuses on improving the personalisation strategy. The recommendation was to promote Communities of Practice. Six semi-structured interviews were conducted to evaluate the relevance of the recommendations. The recommendation was found to be relevant for improving Project Knowledge Management within Volvo Technology
Correction to: Influence of fellow eye on the diagnosis and classification of central serous chorioretinopathy (Graefe's Archive for Clinical and Experimental Ophthalmology, (2021), 10.1007/s00417-021-05435-2)
No full textIn the original published article, one of the author names has been misspelled. “Ramesh Vankatesh” should be “Ramesh Venkatesh” This is being corrected in this publication
On the derived functors of the third symmetric-power functor
No full textWe compute the derived functors of the third symmetric-power functor and their cross-effects for certain values. These calculations match predictions by the first named author and largely prove them in general
A comparative theoretical investigation on the activation of C-H bond in methane on mono and bimetallic Pd and Pt subnanoclusters
No full text
Decomposition and kinetics of CH2(OH)C(O•)(CH3)CH2Cl radical in the atmosphere: A quantum mechanical study
No full text957-963The quantum mechanical calculations of the decomposition pathways of 1, 2-hydroxy alkoxy radical i.e., CH2(OH)C(O•)(CH3)CH2Cl radical have been performed. This radical species has been formed from the successive reactions with O2 molecule and NOx or HO2 radicals with the most stable primary oxidation product of 3-chloro-2-methyl-1-propene and OH radical reaction. Geometry optimization and frequency calculations of all the stable species including transition states in the three possible C-C bond scission pathways (i.e., C-CH3, C-CH2Cl and C-CH2OH) of CH2(OH)C(O•)(CH3)CH2Cl radical have been performed at M06-2X/6-31+G(d,p) level of theory. Single point energy calculations of all the optimized species at the higher level of CCSD(T) method along with cc-pVTZ triple-zeta basis set have been performed. The rate constants for the various decomposition reactions have been evaluated using Canonical Transition State Theory (CTST) within the temperature range of 250–400 K. Rate constants for C–C bond scissions of C-CH3, C-CH2Cl and C-CH2OH of the 1, 2-hydroxy alkoxy radical have been found to be 4.17×101, 1.59×103 and 1.38×109 s-1 respectively at 298 K and 1 atm. The energetic and kinetics results suggest that C–CH2OH bond scission of titled radical has been more dominant than other decomposition channels
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