Results 111 to 120 of about 80,215 (302)
Bis‐Dichlorosilyl Functionalized C4‐Cumulene With Unique Bonding Scenario
Chemistry – A European Journal, EarlyView.Herein, we report a silylene‐functionalized C4‐cumulene (2) and investigate its bonding scenario employing computational methods such as NBO analysis, AIM, and energy decomposition analysis‐natural orbital for chemical valence (EDA‐NOCV). The EDA‐NOCV analysis showed that compound 2 prefers to possess electron‐sharing covalent sigma and dative covalent
Saroj Kumar Kushvaha +10 more
wiley +1 more source
On the Permeation of Polychlorinated Dibenzodioxins and Dibenzofurans through Lipid Membranes: Classical MD and Hybrid QM/MM-EDA Analysis [PDF]
, 2022 Marcos Mandado +4 more
openalex +3 more sources
Windows Malware Detection Under the Machine Learning Models and Neutrosophic Numbers [PDF]
Neutrosophic Sets and SystemsSignificant cybersecurity risks are posed by malware assaults on Windows computers, which call for efficient detection and prevention systems.
Alber S. Aziz +5 more
doaj +1 more source
Sub-structural Niching in Estimation of Distribution Algorithms
, 2005 We propose a sub-structural niching method that fully exploits the problem decomposition capability of linkage-learning methods such as the estimation of distribution algorithms and concentrate on maintaining diversity at the sub-structural level.
Abbass, H. A. +3 more
core +1 more source
Denoising Autoencoders for fast Combinatorial Black Box Optimization
, 2015 Estimation of Distribution Algorithms (EDAs) require flexible probability models that can be efficiently learned and sampled. Autoencoders (AE) are generative stochastic networks with these desired properties.
Bengio Y. +6 more
core +1 more source
Chemistry – A European Journal, EarlyView.Why add another catalyst when the product itself holds the power to catalyze its own formation? Autocatalysis in synthetic chemistry enhances reaction efficiency and uncovers novel catalytic behavior across both closed‐shell and open‐shell systems, expanding reactivity and enabling innovative design strategies.
Jaspreet Kaur, Joshua P. Barham
wiley +1 more source
Catalytic Amyloids: Turning Fibrils Into Biocatalysts
Chemistry – A European Journal, EarlyView.Amyloids, traditionally associated with diseases, have emerged as versatile catalytic scaffolds. From natural amyloid sequences to bioinspired and de novo designs, we highlight strategies to construct catalytic active sites and anchor enzymes onto fibrils, creating versatile nanomaterials with tunable activities. ABSTRACT Amyloids have been regarded as
Alessandra Esposito +3 more
wiley +1 more source
Silent Partners in the Mill: Unveiling the Role of Additives in Mechanochemical Synthesis
Chemistry – A European Journal, EarlyView.Mechanochemistry offers a sustainable, solvent‐free alternative to traditional synthesis, often enhanced by additives in a process known as additive‐assisted grinding. This review discusses how various additives, including liquids, ionic solids, and advanced materials like ionic liquids and piezoelectric compounds, improve reaction efficiency ...
Johanna Breinsperger +3 more
wiley +1 more source
Radical Stability Paradox: Substituent Effects versus Heats of Formation
Chemistry – A European Journal, EarlyView.Rethinking molecular stability: Quantum‐chemical analyses show that the greater stability of tertiary over primary organic radicals is not caused by stabilizing substituent effects but by the inherent stability of the substituent. ABSTRACT Recently, we have shown that alkyl substituents destabilize the carbon radical center of organic radicals. However,
Daniela Rodrigues Silva +3 more
wiley +1 more source
Leveraging State Economic Development Resources to Create Job Opportunities for People with Disabilities [PDF]
, 2009 A 2009 research brief produced for the NTAR Leadership Center, a consortium led by the John H. Heldrich Center for Workforce Development at Rutgers, The State University of New Jersey.
Allison Kopicki +2 more
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