CHEMICAL ANALYSIS OF A DIFFUSE CLOUD ALONG A LINE OF SIGHT TOWARD W51: MOLECULAR FRACTION AND COSMIC-RAY IONIZATION RATE [PDF]
, 2012 Nick Indriolo +6 more
openalex +1 more source
Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation
Advanced Intelligent Discovery, EarlyView.We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley +1 more source
Solvent‐Induced Covalent Bond Softening Boosts Battery Voltage
Angewandte Chemie, EarlyView.The strong attractive interaction between the nucleophilic center of the solvent and the electrophilic region of the covalently bonded cathode fragment triggers charge transfer. This results in the electron population in the antibonding orbital of the covalent bond, leading to bond weakening and elongation, and consequently increasing the cathode ...
Yanyan Wang +6 more
wiley +2 more sources
Electrical Conductivity and Permittivity of Porous Media: Origin, Measurements, and Implications. [PDF]
ACS Meas Sci AuHakiki F, Lin CP.
europepmc +1 more source
An Entropy Generation Rate Model for Tropospheric Behavior That Includes Cloud Evolution. [PDF]
Entropy (Basel), 2023 Sekhar JA.
europepmc +1 more source
Deep Learning‐Assisted Design of Mechanical Metamaterials
Advanced Intelligent Discovery, EarlyView.This review examines the role of data‐driven deep learning methodologies in advancing mechanical metamaterial design, focusing on the specific methodologies, applications, challenges, and outlooks of this field. Mechanical metamaterials (MMs), characterized by their extraordinary mechanical behaviors derived from architected microstructures, have ...
Zisheng Zong +5 more
wiley +1 more source
Wavelength-dependent photofragmentation of pyrazine. [PDF]
Sci RepPayra SS, Thakkar P, Lenka Y, Aravind G.
europepmc +1 more source
Theoretical studies of interstellar molecular shocks - IV. The sulphur chemistry in diffuse clouds [PDF]
, 1986 G. Pineau des Forêts +2 more
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When Biology Meets Medicine: A Perspective on Foundation Models
Advanced Intelligent Discovery, EarlyView.Artificial intelligence, and foundation models in particular, are transforming life sciences and medicine. This perspective reviews biological and medical foundation models across scales, highlighting key challenges in data availability, model evaluation, and architectural design.
Kunying Niu +3 more
wiley +1 more source
Missing interstellar sulfur in inventories of polysulfanes and molecular octasulfur crowns. [PDF]
Nat CommunHerath A +8 more
europepmc +1 more source