Results 111 to 120 of about 393,404 (281)
Leap Zagreb indices of certain chemical structures: a topological analysis
Main Group Metal ChemistryTopological indices serve as important molecular descriptors in quantitative structure–property relationship (QSPR) and quantitative structure–activity relationship (QSAR) studies.
Rehman Masood Ur +3 more
doaj +1 more source
Advanced Functional Materials, EarlyView.Furfural carbon dots functionalized with acylphosphine oxide photosensitive groups (CD‐PO PI) demonstrate potential as one‐component photoinitiators for digital light processing (DLP) 3D printing. Compared to conventional diphenyl(2,4,6‐trimethylbenzoyl)phosphine oxide (TPO), CD‐PO PI offers improved printing resolution, resin toughness, and biological
Xiaotong Li +10 more
wiley +1 more source
A Novel Method Based on Topological Perception Theory for 3D Landmark Building Model Retrieval
Applied SciencesLandmark building models typically exhibit intricate structures, posing challenges for retrieval using generic descriptors. To address this challenge, this paper abstracts and simplifies the model into simple topological structures grounded in ...
Chunlei Li, Yuan Ding, Yingbao Yang
doaj +1 more source
Evidence for Itinerant Ferromagnetic Flat Bands Producing Large Transverse Responses
Advanced Materials, EarlyView.Itinerant ferromagnetic flat bands are demonstrated in GdCo5 with a high Curie temperature of 940K, a stacked honeycomb–kagome lattice, through angle‐resolved photoemission spectroscopy and magneto‐thermoelectric measurements. These topological flat bands generate large Berry curvaturte, producing gigantic anomalous Nernst effect with record‐high ...
Susumu Minami +15 more
wiley +1 more source
Supervised Machine Learning-Graph Theory Approach For Analyzing the Electronic Properties of Alkanes
Journal of the Turkish Chemical Society, Section A: ChemistryThe combination of advanced scientific computing and quantum chemistry improves the existing approach in all chemistry and material science fields. Machine learning has revolutionized numerous disciplines within chemistry and material science.
Nurul Aimi Zakaria +2 more
doaj +1 more source
Conformational Topological Descriptors Enhance
Prioritizing immunogenic neoantigens for personalized cancer vaccines and adoptive T-cell therapies remains challenging because binding affinity and sequence-level features alone fail to distinguish T-cell reactive peptide-MHC (pMHC) complexes from non-reactive high-affinity binders.Here, we present a dynamic structural-topological framework that ...
openaire +1 more source
, 2007 177-184A comparative QSAR study of a set of reported acridine 5,7-diones tested for cytotoxic activity against human colon adenocarcinoma cell line has been performed using topological descriptors and a novel set of P-VSA descriptors.
Moorthy, N S Hari Narayana +2 more
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Universal Conductance Fluctuations in Quantum Anomalous Hall Insulators
Advanced Materials, EarlyView.Universal conductance fluctuations are observed in mesoscopic quantum anomalous Hall insulators. Two distinct fluctuation patterns are identified, arising from different interference processes of bulk and chiral edge states, respectively. These findings unveil rich quantum interference phenomena in quantum anomalous Hall insulators and provide insights
Peng Deng +11 more
wiley +1 more source
M-polynomial Based Topological Analysis and Comparative Study of SiC3 Networks
Scientific Annals of Computer ScienceTopological indices are numerical descriptors used in chemical graph theory to characterize the size, branching and connectivity of molecular structures.
Shibsankar Das, Shahzadi Nargis
doaj +1 more source
Modeshapes recognition using Fourier descriptors: a simple SHM example [PDF]
, 2011 The main objective of this study is to develop an alternative criterion for modeshape classification, as the currently available one, MAC (Modal Assurance Criteria), is only a vector correlation representing modeshape similarities.
Morlier, Joseph +2 more
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