نتایج جستجو برای: logp and electron delocalization
تعداد نتایج: 16879907 فیلتر نتایج به سال:
We use field-cycling-assisted dynamic nuclear polarization and continuous radio-frequency (RF) driving over a broad spectral range to demonstrate magnetic-field-dependent activation of spin transport from strongly hyperfine-coupled $^{13}\mathrm{C}$ sites in diamond. interpret our observations with the help theoretical framework where interactions are mediated by electron spins. In particular, ...
We investigate the issue of stalling in the LogP model. In particular, we introduce a novel quantitative characterization of stalling, referred to as δ-stalling, which intuitively captures the realistic assumption that once the network’s capacity constraint is violated, it takes some time (at most δ) for this information to propagate to the processors involved. We prove a lower bound that shows...
ion for algorithm design and programming, while LogP provides better control of machine resources. Comparisons and evaluations between the two models have been made in [29,62,104]. In [29], a variant of LogP that disallows the so-called stalling behavior is considered. The authors create cross simulations between the two models showing their equivalence in algorithmic design when using asymptot...
Ultrafast charge delocalization dynamics in an internal donor-acceptor copolymer poly(9,9-dioctylfluorenyl-co-bithiophene) (F8T2) and its blend with the fullerene derivative [6,6]-phenyl C61 butyric acid methyl ester (PCBM) was studied by resonant Auger spectroscopy measured around sulfur K-edge using the core-hole clock approach. The effect of thermal annealing on the charge transfer delocaliz...
The title compound, C(9)H(8)O(4)S, affords a zigzig chain in the crystal structure by inter-molecular O-H⋯O hydrogen bonds. The molecular geometry suggests that extensive but not uniform π-electron delocalization is present in the benzene ring and extends over the exocyclic C-S and C-C bonds.
The optical spectra of thiolated Au25(SR)18/Au23(SR)16 clusters with different R residues are investigated via TDDFT simulations. Significant enhancements in the optical region and effective electron delocalization are simultaneously achieved by tuning the ligands' steric hindrance and electronic conjugating features, producing a resonance phenomenon between the Au-S core motif and the ligand f...
In the title compound, C(14)H(16)ClN(5)O(3), there is evidence for significant electron delocalization in the triazolyl system. Intra-molecular C-H⋯O and inter-molecular C-H⋯O and C-H⋯N hydrogen bonds stabilize the structure.
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