نتایج جستجو برای: logp and electron delocalization

تعداد نتایج: 16879907  

1996

serve as a basis for the design and analysis of fast, portable parallel algorithms, such as algorithms that can be implemented effectively on a wide variety of current and future parallel machines. If we look at the body of parallel algorithms developed under current parallel models, many are impractical because they exploit artificial factors not present in any reasonable machine, such as zero...

2009
Bing-Yu Zhang Jing-Jing Nie Duan-Jun Xu

In the crystal structure of the title Ni(II) complex, [Ni(C(6)H(4)NO(3))(2)(C(3)H(4)N(2))(2)], the Ni(II) atom is located on a twofold rotation axis and is chelated by two oxidopyridiniumcarboxyl-ate anions and further cis-coordinated by two imidazole ligands in a distorted cis-N(2)O(4) octa-hedral geometry. The C-O bond distance of 1.2573 (19) Å found for the non-coordinating O atom of the car...

2000
Gabriel Loh Dana Henry

This paper critique is written under the assumption that the reader is already familiar with the primary text [2] (henceforth referred to as “the paper”), and therefore a full overview of the LogP model will not be presented. The critique will mainly focus on shortcomings and weaknesses of the paper, leaving commentary on the positive contributions of the work for the end. The critique is organ...

1999
Cristina Boeres Aline de P. Nascimento Vinod E. F. Rebello

This paper describes a task scheduling algorithm, based on a LogP -type model, for allocating arbitrary task graphs to fully connected networks of processors. This problem is known to be NP-complete even under the delay model (a special case under the LogP model). The strategy exploits the replication and clustering of tasks to minimise the ill e ects of communication overhead on the makespan. ...

1996
Gianfranco Bilardi Kieran T. Herley Andrea Pietracaprina Geppino Pucci Paul Spirakis

A quantitative comparison of the BSP and LogP models of parallel computation is developed. We concentrate on a variant of LogP that disallows the so-called stalling behavior, although issues surrounding the stalling phenomenon are also explored. Very eecient cross simulations between the two models are derived, showing their substantial equivalence for algorithmic design guided by asymptotic an...

Journal: :Physical chemistry chemical physics : PCCP 2016
Xiang Wang Qiang Wang Caixia Yuan Xue-Feng Zhao Jia-Jia Li Debao Li Yan-Bo Wu Xiaotai Wang

DFT B3LYP/6-31G(d) calculations were performed to examine the feasibility of graphene-like C42H18 and starbenzene C6(BeH)6 (SBz) polymers as ligands of 3D-extensible sandwich compounds (3D-ESCs) with uninterrupted sandwich arrays. The results revealed that sandwich compounds with three or more C42H18 ligands were not feasible. The possible reason may be the localization of π electrons on certai...

1996
Gianfranco Bilardi Kieran T. Herley Andrea Pietracaprina Geppino Pucci Paul Spirakis

A quantitative comparison of the BSP and LogP models of parallel computation is developed. We concentrate on a variant of LogP that disallows the so-called stalling behavior, although issues surrounding the stalling phenomenon are also explored. Very eecient cross simulations between the two models are derived, showing their substantial equivalence for algorithmic design guided by asymptotic an...

Journal: :Journal of the American Chemical Society 2015
Lei Ji Robert M Edkins Andreas Lorbach Ivo Krummenacher Charlotte Brückner Antonius Eichhorn Holger Braunschweig Bernd Engels Paul J Low Todd B Marder

Reduction of 2-(BMes2)pyrene (B1) and 2,7-bis(BMes2)pyrene (B2) gives rise to anions with extensive delocalization over the pyrenylene bridge and between the boron centers at the 2- and 2,7-positions, the typically unconjugated sites in the pyrene framework. One-electron reduction of B2 gives a radical anion with a centrosymmetric semiquinoidal structure, while two-electron reduction produces a...

Journal: :Synthesis 2022

Abstract Visualization of electron delocalization and aromaticity in some selected arynes, including nonplanar examples, their Diels–Alder or dimerization reactions was achieved through multidimensional isotropic magnetic shielding contour maps. These maps showed that arynes are generally less aromatic than the corresponding arenes, peaks during when approaching transition state.

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