Results 11 to 20 of about 1,051,029 (290)
Chemical Reactivity Descriptors for Ambiphilic Reagents: Dual Descriptor, Local Hypersoftness, and Electrostatic Potential [PDF]
The Journal of Physical Chemistry A, 2009 The second-order response of the electron density with respect to changes in electron number, known as the dual descriptor, has been established as a key reactivity indicator for reactions like pericyclic reactions, where reagents accept and donate electrons concurrently.
Cárdenas, Carlos +5 more
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New Dual Descriptor for Chemical Reactivity
The Journal of Physical Chemistry A, 2004 In this paper, a new dual descriptor for nucleophilicity and electrophilicity is introduced. The new index is defined in terms of the variation of hardness with respect to the external potential, and it is written as the difference between nucleophilic and electrophilic Fukui functions, thus being able to characterize both reactive behaviors.
Morell, Christophe +2 more
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Why is the dual descriptor a more accurate local reactivity descriptor than Fukui functions?
Journal of Mathematical Chemistry, 2014 zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Martínez-Araya J.I.
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Building Block and Building Rule: Dual Descriptor Method for Biological Sequence Analysis [PDF]
Nature Precedings, 2008 AbstractThe emergence of “Systems Biology” in recent years highlights the systematic viewpoint of bio-system modeling. Building on such a background, Dual Descriptor Method, a generic methodology for biological sequence analysis is proposed. From a systematic perspective, Dual Descriptor is defined as a two element set of Composition Weight Map and ...
Bin-Guang Ma
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Dog nose print matching with dual global descriptor based on Contrastive Learning
CoRR, 2022 Recent studies in biometric-based identification tasks have shown that deep learning methods can achieve better performance. These methods generally extract the global features as descriptor to represent the original image. Nonetheless, it does not perform well for biometric identification under fine-grained tasks.
Bin Li +4 more
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The Journal of Physical Chemistry A, 2019 An alternative response function, based on the dual descriptor in terms of Koopmans' approximation, is hereby proposed for the description of chemical reactivity in systems with (quasi-) degenerate frontier molecular orbitals. This descriptor is constructed from Fukui functions that include contributions from different orbitals, i.e., orbital-weighted ...
Ricardo Pino-Rios +3 more
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Physical Chemistry Chemical PhysicsThe dual delocalization descriptor (DDD) maps bond-resolved electronic responses in aromatic systems, capturing finite-difference trends and demonstrating how donor or acceptor substituents modulate specific bond sensitivities.
Samir Kenouche
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Multi-scale superpatch matching using dual superpixel descriptors [PDF]
Pattern Recognition Letters, 2020 Over-segmentation into superpixels is a very effective dimensionality reduction strategy, enabling fast dense image processing. The main issue of this approach is the inherent irregularity of the image decomposition compared to standard hierarchical multi-resolution schemes, especially when searching for similar neighboring patterns. Several works have
Giraud, Rémi +2 more
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On computing minimal realizations of periodic descriptor systems [PDF]
, 2007 : We propose computationally efficient and numerically reliable algorithms to compute minimal realizations of periodic descriptor systems. The main computational tool employed for the structural analysis of periodic descriptor systems (i.e., reachability
Andras Varga, Varga, Andreas
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Bounded real lemmas for positive descriptor systems [PDF]
, 2015 A well known result in the theory of linear positive systems is the existence of positive definite diagonal matrix (PDDM) solutions to some well known linear matrix inequalities (LMIs).
Yan, Xinggang +3 more
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