Results 171 to 180 of about 264,106 (287)

Influence of Hydrogen‐Incorporation on the Bulk Electronic Structure and Chemical Bonding in Palladium

Advanced Science, EarlyView.
Hydrogen incorporation in palladium is directly probed using in situ ambient‐pressure hard X‐ray photoelectron spectroscopy under realistic, application‐relevant conditions. Correlated structural, spectroscopic, and theoretical analysis reveals how hydrogen loading modifies structure, electronic structure, and metal‐hydrogen bonding, resolving long ...
Lars J. Bannenberg, Fernando García‐Martínez, Patrick Lömker, Robin. Y. Engel, Christoph Schlueter, Herman Schreuders, Amy Navarathna, Laura. E. Ratcliff, Anna Regoutz   +8 more
wiley   +1 more source

QSPR analysis of anticancer drugs using the Euler-Sombor index and theoretical insights on its minimum value for unicyclic graphs. [PDF]

Sci Rep
Shetty S, Rakshith BR, Udupa NVS.
europepmc   +1 more source

Deformation‐Induced Formation of Stray Grains in Additive Manufacturing of Single Crystals

Advanced Science, EarlyView.
Stray grain formation severely limits the additive manufacturing of single‐crystal alloys. By integrating in situ synchrotron techniques, ex situ characterization, and multi‐scale multi‐physics modeling, the authors reveal that stray grains originate from dislocations at the solid‐liquid interface, rather than thermal supercooling in conventional ...
Dongsheng Zhang, Zixu Guo, Yuxiao Li, Lu Wang, Yu Wu, Darui Sun, Wentao Yan, Yuanyuan Guo, Han Wang, Wei Liu, Ye Tao, Bingbing Zhang   +11 more
wiley   +1 more source

Structure-efficiency relationship of access group antibiotics via SK chromatic descriptors. [PDF]

Front Chem
Rajambigai R, Praveen T, Ravi Sankar J.
europepmc   +1 more source

bond enthalpy

Citation: 'bond enthalpy' in the IUPAC Compendium of Chemical Terminology, 5th ed.; International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. 10.1351/goldbook.08147 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms. Requests for
openaire   +1 more source

Extreme Kinetic Stability and RNase Resistance of Human Telomerase RNA G‐Quadruplexes Overcome by DHX36 Helicase

Advanced Science, EarlyView.
The RNA G‐quadruplexes formed at the 5'‐end of the RNA component of human telomerase possess extreme slow unfolding rate, rendering them resistant to nuclease degradation. The helicase DHX36 overcame this kinetic barrier and significantly reduced the folded fraction.
Qun Luo, Yashuo Zhang, Yingxian Qian, Huiying Zhan, Wenqiang Wu, Huijuan You   +5 more
wiley   +1 more source

ThermoPred: AI-Enhanced Quantum Chemistry Data Set and ML Toolkit for Thermochemical Properties of API-Like Compounds and Their Degradants. [PDF]

J Chem Inf Model
Santos DP, Dias-Silva JR, Júnior LHKQ, de Oliveira HCB.   +3 more
europepmc   +1 more source

A Yolk@Shell Photothermal Structure for Integrated Solar‐Driven Undrinkable Water Purification and Thermoelectric Power Generation

Advanced Science, EarlyView.
A yolk@shell structured photothermal evaporator was prepared via simple sol‐gel and spray coating methods. By taking advantage of the unique yolk@shell structure, the position of the TE module within the evaporator can be optimized without affects its water evaporation performance. This results in efficient and stable evaporation (3.08‐3.17 kg m−2 h−1)‐
Minrui Zhan, Xiang Fu, Yumei He, Manman Zhao, Xi Zhang, Rong Liu, Haonan Yang, Ming Yang, Huiyu Yang, Pei Lyu, Jiehao Du, Shaojin Gu, Xin Liu, Bin Shang   +13 more
wiley   +1 more source

Johari-Goldstein relaxation in quenched and irradiated chalcogenide glasses.

Newton
Baglioni J, Martinelli A, Sun P, Dallari F, Piemontese L, Umair M, Westermeier F, Sprung M, Monaco G.   +8 more
europepmc   +1 more source

ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals

Advanced Science, EarlyView.
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray, Andrew R. Castillo, Manoj Kolel‐Veetil, Surya R. Kalidindi   +3 more
wiley   +1 more source