نتایج جستجو برای: logp and electron delocalization

تعداد نتایج: 16879907  

Journal: :Physical review 2021

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, ...

2000
Gianfranco Bilardi Kieran T. Herley Andrea Pietracaprina Geppino Pucci

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...

2004
Mingxian Jin

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...

Journal: :Physical chemistry chemical physics : PCCP 2015
Yunier Garcia-Basabe Natasha A D Yamamoto Lucimara S Roman Maria Luiza M Rocco

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...

2009
Cai-Hong Zhan Ling-Xian Chen Yun-Long Feng

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.

Journal: :Chemical communications 2015
L Sementa G Barcaro A Dass M Stener A Fortunelli

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...

2008
Xiao-Bao Chen Feng-Mei Sun Hai-Tao Gao Jing Xu Ai-Hua Zheng

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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