Results 211 to 220 of about 12,230 (257)

Molecular Interactions of Pyridine With Water: A Combined DFT Benchmarking and QTAIM Analysis

Journal of Computational Chemistry, Volume 47, Issue 21, August 5, 2026.
Microsolvation of pyridine by up to ten water molecules was explored using benchmarked DFT and QTAIM analyses, revealing a transition from a single OH…N hydrogen bond to cooperative three‐dimensional hydrogen‐bond networks. Increasing hydration promotes cage‐like water structures and diverse non‐covalent interactions, governing conformational stability
Juda Baikété, Celestin Godwe Tcheombe, Alhadji Malloum, Jeanet Conradie   +3 more
wiley   +1 more source

Projected Oral Health Outcomes and Costs Associated With Pediatric Medicaid Disenrollment.

JAMA Netw Open
Choi SE, Simon L, Hayes C, Giannobile WV.   +3 more
europepmc   +1 more source

Polynomial-time quantum Gibbs sampling for the weak and strong coupling regime of the Fermi-Hubbard model at any temperature. [PDF]

Nat Commun
Šmíd Š, Meister R, Berta M, Bondesan R.   +3 more
europepmc   +1 more source

New‐Era Polymer Thermoelectrics: Material Innovations, Doping Frontiers, Decoupling Strategies, and Unconventional Applications

Advanced Materials, Volume 38, Issue 43, 3 August 2026.
The field of polymer thermoelectrics is entering a new era, featuring breakthroughs in addressing the conventional performance disparity between p‐type and n‐type polymers, pioneering doping frontiers, and sophisticated decoupling strategies. This review explores innovations in molecular design and superior stabilities, bridging the gap from ...
Suhao Wang
wiley   +1 more source

Fracture and Fatigue in Metals and Alloys. [PDF]

Materials (Basel)
Li S, Wang Z.
europepmc   +1 more source

Impedance of Nonelectroneutral Solid Electrolyte Interphases With Nanopores: A Theoretical Model

Advanced Science, Volume 13, Issue 43, 3 August 2026.
Physical modeling reveals that often‐neglected non‐electroneutrality and nanopores in the solid‐electrolyte interphase (SEI) govern the impedance behavior. Under nonreactive conditions, the low‐frequency constant‐phase element (CPE) phenomenon can be attributed to the nonelectroneutral local conditions in the SEI.
Chenkun Li, Jun Huang
wiley   +1 more source

Research on agricultural development issues based on comprehensive optimization strategy. [PDF]

Sci Rep
Dayou H, Jieyun LI, Ya W, Susu G, Xinran W, Xianchao W.   +5 more
europepmc   +1 more source

Divide and recombine approaches for fitting logistic regression to large-scale health surveillance data: application to diabetes risk prediction in BRFSS. [PDF]

Sci Rep
Nayem MMH, Biswas SC.
europepmc   +1 more source

An explainable GeoAI framework for spatial assessment of wildfire susceptibility in the Upper Ravi sub-basin, Indian Himalaya. [PDF]

Sci Rep
Suheb, Nawazuzzoha M, Ali MS, Rashid MM, Naqvi DF, Qaisar H, Sicard P, Karuppannan S, Naqvi HR.   +8 more
europepmc   +1 more source

Calibration, Sensitivity and Uncertainty Analysis of Complex Ecological Models-A Review. [PDF]

Ecol Lett
Malchow AK, Hartig F.
europepmc   +1 more source