Search results for "Configuration"
showing 10 items of 601 documents
Tin resonance-ionization schemes for atomic- And nuclear-structure studies
2020
This paper presents high-precision spectroscopic measurements of atomic tin using five different resonance-ionization schemes performed with the collinear resonance-ionization spectroscopy technique. Isotope shifts were measured for the stable tin isotopes from the $5{s}^{2}5{p}^{2}\phantom{\rule{0.28em}{0ex}}^{3}{P}_{0,1,2}$ and ${}^{1}{S}_{0}$ to the $5{s}^{2}5p6s\phantom{\rule{0.28em}{0ex}}^{1}{P}_{1},^{3}{P}_{1,2}$ and $5{s}^{2}5p7s{\phantom{\rule{0.28em}{0ex}}}^{1}{P}_{1}$ atomic levels. The magnetic dipole hyperfine constants ${A}_{\mathrm{hf}}$ have been extracted for six atomic levels with electron angular momentum $Jg0$ from the hyperfine structures of nuclear spin $I=1/2$ tin isot…
Spin Crossover and Long-Lived Excited States in a Reduced Molecular Ruby.
2020
Abstract The chromium(III) complex [CrIII(ddpd)2]3+ (molecular ruby; ddpd=N,N′‐dimethyl‐N,N′‐dipyridine‐2‐yl‐pyridine‐2,6‐diamine) is reduced to the genuine chromium(II) complex [CrII(ddpd)2]2+ with d4 electron configuration. This reduced molecular ruby represents one of the very few chromium(II) complexes showing spin crossover (SCO). The reversible SCO is gradual with T 1/2 around room temperature. The low‐spin and high‐spin chromium(II) isomers exhibit distinct spectroscopic and structural properties (UV/Vis/NIR, IR, EPR spectroscopies, single‐crystal XRD). Excitation of [CrII(ddpd)2]2+ with UV light at 20 and 290 K generates electronically excited states with microsecond lifetimes. This…
Hamstring Graft Preparation for ACL Reconstruction
2022
Anterior cruciate ligament (ACL) reconstruction represents one of the most common procedures in orthopedic surgery. It usually involves the harvest of both gracilis and semitendinosus tendons from the ipsilateral knee. Different methods of hamstring graft preparation have been proposed in recent years, to create an adequate graft diameter reducing morbidity linked to gracilis tendon harvesting procedure. More recently, the use of only 1 of the tendons (semitendinosus) in a tripled or quadrupled arrangement has been described, especially in an all-inside type of reconstruction. Having a thicker tendon with a quadrupled semitendinosus (ST), instead of double gracilis and ST enables to have a …
ChemInform Abstract: Assignment of the Absolute Configuration and Total Synthesis of (+)-Caripyrin.
2015
The antifungal secondary metabolite (+)-caripyrin was studied by vibrational circular dichroism spectroscopy. Analysis of the recorded data, with the Boltzmann weighted-average of the spectra calculated at the B3LYP/6-311G(d,p) level of theory for all relevant conformers, unequivocally proved the (R,R)-configuration for the dextrorotatory natural product. Based on this finding, a short enantioselective synthesis of (+)-caripyrin was developed.
Excitation Energy-Transfer in the LH2 Antenna of Photosynthetic Purple Bacteria via Excitonic B800 and B850 States
2000
A newly developed CIEM method that uses a combination of semi-empirical or ab-initio configuration interaction methods and exciton theory to predict electronic energies, eigenstates, absorption and CD spectra of aggregated chromophoric systems with environmental interactions included is extended and used for estimation of excitation energy transfer rates. Excitonic energy levels of the two ring systems the B800 and the B850 of the light harvesting antenna LH2 of Rhodopseudomonas acidophila and the corresponding absorption spectrum were calculated by assuming inter-ring interactions to be zero. Excitation energy transfer rates were calculated by using the Fermi Golden rule with the dipole - …
Feature Extractors for Describing Vehicle Routing Problem Instances
2016
The vehicle routing problem comes in varied forms. In addition to usual variants with diverse constraints and specialized objectives, the problem instances themselves – even from a single shared source - can be distinctly different. Heuristic, metaheuristic, and hybrid algorithms that are typically used to solve these problems are sensitive to this variation and can exhibit erratic performance when applied on new, previously unseen instances. To mitigate this, and to improve their applicability, algorithm developers often choose to expose parameters that allow customization of the algorithm behavior. Unfortunately, finding a good set of values for these parameters can be a tedious task that…
Modelling Recurrent Events for Improving Online Change Detection
2016
The task of online change point detection in sensor data streams is often complicated due to presence of noise that can be mistaken for real changes and therefore affecting performance of change detectors. Most of the existing change detection methods assume that changes are independent from each other and occur at random in time. In this paper we study how performance of detectors can be improved in case of recurrent changes. We analytically demonstrate under which conditions and for how long recurrence information is useful for improving the detection accuracy. We propose a simple computationally efficient message passing procedure for calculating a predictive probability distribution of …
Electronic Structure and Optical Properties of the Intrinsically Chiral 16-Electron Superatom Complex [Au20(PP3)4]4+
2014
The recently solved crystal structure of the [Au20(PP3)4]Cl4 cluster (PP3: tris(2-(diphenylphophino)ethyl)phosphine) is examined using density functional theory (DFT). The Au20 core of the cluster is intrinsically chiral by the arrangement of the Au atoms. This is in contrast to the chirality of thiolate-protected gold clusters, in which the protecting Au-thiolate units are arranged in chiral patterns on achiral cores. We interpret the electronic structure of the [Au20(PP3)4]Cl4 cluster in terms of the superatom complex model. The 16-electron cluster cannot be interpreted as a dimer of 8-electron clusters (which are magic). Instead, a superatomic electron configuration of 1S(2) 1P(6) 1D(6) …
Configurational theory in traditional manufacturing industries: a new model of high-performing small and medium-sized enterprises
2020
The goal of this study is to provide a model of high-performing small and medium-sized companies to address the new environmental challenges in traditional manufacturing industries. Adopting a configurational logic and following an inductive approach based on four high-performing firms, this paper provides new empirical evidence on how the steps followed by these firms are adjusted to the high-performance models prescribed by the literature. In doing so, it also offers a dynamic view of the interrelationships between the strategy and the new conditions of the environment. At a practitioner level, the paper illustrates which recipes are more appropriate to prescribe recommendations for a mor…
The Aqua-Planet Experiment (APE): CONTROL SST Simulation
2013
Climate simulations by 16 atmospheric general circulation models (AGCMs) are compared on an aqua-planet, a water-covered Earth with prescribed sea surface temperature varying only in latitude. The idealised configuration is designed to expose differences in the circulation simulated by different models. Basic features of the aqua-planet climate are characterised by comparison with Earth. The models display a wide range of behaviour. The balanced component of the tropospheric mean flow, and mid-latitude eddy covariances subject to budget constraints, vary relatively little among the models. In contrast, differences in damping in the dynamical core strongly influence transient eddy amplitudes…