Results 181 to 190 of about 124,413 (295)

Crosslinked Waterborne Polyurethane Solid-Solid Phase Change Materials with Polyethylene Glycol for Thermoregulating Textiles. [PDF]

Polymers (Basel)
Cao H, Sun Y, Lu S, Li B, Lin S, Yang Q, Tian C, Zhang F.   +7 more
europepmc   +1 more source

Quantum‐Trained AI Enables Inverse Design of Organic Frontier Orbitals at Billion‐Scale

Advanced Science, EarlyView.
Quantum‐trained AI links molecular substructures to frontier‐orbital energetics and enables interpretable screening across nearly one billion GDB‐13 molecules. By combining fragment‐ and ring‐level insights with donor–acceptor energy alignment against ITIC, the framework narrows an immense chemical space to a small set of promising candidates and ...
Yeongnam Ko, Se Jin Kim, Ki Chul Kim
wiley   +1 more source

Enthalpy-Driven Topological Programming of (TPMS)-Like Carbon Networks. [PDF]

Adv Mater
Ma J, Liu Z, Zhu P, Ma M, Wang B, Cui P, Zhang B, Qin L, Kang Y, Ji Z, Tian K, Wu F, Fei G, Che R, Huang W.   +14 more
europepmc   +1 more source

Ablation‐Immune Thermal Armor Via Microstructural‐Compatibility Design for Extreme Thermal Conditions

Advanced Science, EarlyView.
This study unveils a microstructural‐compatibility design strategy that integrates reactive melt infiltration with plasma spraying to fabricate carbon fiber‐reinforced ZrC‐SiC composites. The deliberate incorporation of SiC into the ZrC coating releases heat accumulation, suppresses detrimental lamellar ZrO2 formation, and reduces residual stress. This
Hongkang Ou, Lingxiang Guo, Bing Liu, Ziyi Yi, Yuyu Zhang, Jia Sun, Qiangang Fu   +6 more
wiley   +1 more source

Distinct thermodynamic strategies in cello-oligosaccharide binding by <i>Anaerocellum bescii</i> substrate-binding proteins. [PDF]

Appl Environ Microbiol
Kang J.
europepmc   +1 more source

Nanoglasses: a trail towards uncharted regions of vitreous materials and their properties? [PDF]

Beilstein J Nanotechnol
Wilde G, Hahn H.
europepmc   +1 more source

Programmable Guest‐Induced 5‐Phase‐Transition Topological Reconstructions of Cobalt Formate Metal–Organic Frameworks

Advanced Science, EarlyView.
A reversible five‐phase topological cycle is achieved in a minimalist cobalt formate metal–organic framework. The amorphous phase functions as a programmable reactive hub, selectively reconstructing into four distinct crystalline architectures through cationic templates, humidity, or CO2.
Zhiyu Tao, Jingjian Li, Jing Ling, Tianxiang Chen, Wing‐Yiu Yu, Cong Lin, Tsz Woon Benedict Lo   +6 more
wiley   +1 more source

The Role of Water in Protein-Ligand Binding: Decisive Factor, Annoying Feature, or Indispensable Control Element: In Any Case, a Major Challenge. [PDF]

ChemMedChem
Klebe G.
europepmc   +1 more source

The Influence of Residual Ion Drift During Programming of Chip‐Integrated Nanoscale HfO2‐Based Memristive Devices

Advanced Electronic Materials, EarlyView.
1T1R‐arrays combining filamentary‐type memristors and CMOS transistors offer great potential for energy‐efficient analog hardware accelerators. Here, transient SET analysis of nanoscale HfO2 memristors integrated on 180 nm CMOS wafers is discussed.
Oliver Artner, Felix Cüppers, Seokki Son, Yang Chen, Xiaohua Liu, Christopher Bengel, Dennis Nielinger, André Zambanini, Stefan Wiefels, Stephan Menzel, Regina Dittmann, Susanne Hoffmann‐Eifert   +11 more
wiley   +1 more source

Pd-Catalyzed Hydroalkoxycarbonylation and Hydroxycarbonylation: DFT Mapping of Catalyst-Substrate Landscape for Product Selectivity. [PDF]

Chemistry
Gupta S, Gupta P.
europepmc   +1 more source