Semi-empirical Sparkle/RM1 model is employed to elucidate the ground state geometry of [Ln tfaa 3bpy] complexes [Ln = Pr (1), Eu (2), Tb (3), Dy (4) and Tm (5); tfaa = 1,1,1-trifluoro-2,4-pentanedione and bpy = 2,2′-bipyridyl], which were synthesized in high yield by a one-step method and thoroughly characterized.
We therefore focus our study on the latter topic to fill a gap of knowledge and help to elucidate the ground pattern of the odonatan thorax.
The quantum computations based on density functional theory (DFT) as the full-relativistic version of the full-potential augmented plane-wave plus local orbitals method (FP − APW + lo) are powerful techniques and have the advantage of elucidating the ground state properties not only for small atomic systems but also for large molecules [17].
However, a better understanding of these relationships is indispensable for elucidating the ground pattern of Pterygota and the understanding of the evolution of insect flight [ 59].
This study thus illustrates the utility of transient absorption techniques to elucidate the underlying ground-state heterogeneity in photoreceptors.
The gp130-cytokine system has been fertile ground for protein structure-function studies aimed at elucidating the basis of ligand recognition and receptor activation.
Hybrid density functional theory (DFT) calculations have been carried out for oligomer species of a fused porphyrin, denoted by P(n), where n represents the number of porphyrin rings in the oligomer, to elucidate the electronic structures at ground and excited states.
Hybrid density functional theory (DFT) calculations have been carried out for neutral and radical cation of fused furan oligomer, denoted by F(n) where n means number of furan rings in the oligomer, to elucidate the electronic structures at ground and low-lying excited states.
The concert, spanning both American and Korean musical traditions, elucidated the common ground between the countries - and its significance for both New York Philharmonic members and Korean listeners was echoed loudly, and tearfully.
We will also conduct a qualitative study based on the grounded theory to elucidate the meaning of the experiences of moxibustion treatment for KOA.
Inter-EHSCC WoResearchoup recommendation: Reshould should be performed to elucidate the fate and transport of ground and surface water pollutants under hydraulic fracturing conditions.
