Results 251 to 260 of about 119,560 (316)

Compressible Flow Exfoliation of Two‐Dimensional Nanomaterials: Insights Into Layer Separation Informed by Gas Dynamics

Advanced Engineering Materials, Volume 28, Issue 6, 18 March 2026.
This study elucidates the mechanism of compressible flow exfoliation for producing 2D hexagonal boron nitride (h‐BN). Fluid dynamics analysis reveals that acceleration‐driven aerodynamic shear forces, rather than shock waves alone, drive effective layer separation.
Md Farhadul Islam, Saeed Arabha, Ray Hixon, Reza Rizvi   +3 more
wiley   +1 more source

2010 Non-Proliferation Treaty (NPT) Review Conference: Key Issues and Implications

, 2010
Paul K. Kerr, Mary Beth Dunham Nikitin, Amy F. Woolf   +2 more
openalex   +1 more source

Anharmonic effects on the dynamical stability of Ce-Co-Cu intermetallic ternary compounds. [PDF]

RSC Adv
Tee WS, Xia W, Flint R, Wang CZ.
europepmc   +1 more source

On the Bona Fide Sampling of Reaction Candidates in Red Moon Method by Replica‐Exchange Molecular Dynamics Method: REMD‐RM Method and Its Efficacy in Polymerization and Cross‐Linking Reactions of Polypropylene

Journal of Computational Chemistry, Volume 47, Issue 7, March 15, 2026.
Schematic representation of the REMD‐RM method, which integrates the Red Moon (RM) method and the replica‐exchange molecular dynamics (REMD) method. By enhancing molecular reconfiguration and diffusion in the reactant system, the REMD‐RM method can efficiently explore a wide phase space and effectively accelerate the search for reaction candidates ...
Kentaro Matsumoto, Yuichi Tanaka, Seiryu Umetani, Takashi Nakano, Masataka Nagaoka   +4 more
wiley   +1 more source

The Participation of Older Persons in the Adoption of Age-Friendly Care Models in Hospital Settings: A Scoping Review. [PDF]

Nurs Health Sci
Millar NA, Hunter KF, Dahlke S, Tate K, Alagadan IJ, Hoben M.   +5 more
europepmc   +1 more source

DFTB Parametrization at the Example of Platinum—Implementation, Validation and Practical Considerations

Journal of Computational Chemistry, Volume 47, Issue 7, March 15, 2026.
Development and comprehensive validation of 3ob‐compatible DFTB3 parameters for platinum, enabling efficient and reliable simulations of a wide range of Pt‐containing systems. ABSTRACT Practical considerations for the parametrization of the transition metal platinum within the third‐order density‐functional tight‐binding (DFTB3) method are presented ...
Felix R. S. Purtscher, Armin Penz, Josef M. Gallmetzer, Jakob Gamper, Thomas S. Hofer   +4 more
wiley   +1 more source

Ligand Basicity Governs Cysteine Reactivity in Au(I)-NHC Thiolate Complexes: A Computational Study. [PDF]

Inorg Chem
Clauss G, Santos Oliveira I, Abbehausen C.   +2 more
europepmc   +1 more source

Result of NPT X-Carton.

Abu M. Fuad (21300296), Nusra Akter Takia (21300299), Hasin Ahmad Zafir (21300302), Omar Farrok (10142033)   +3 more
openalex   +1 more source

Unphysical Structure Collapse in Quantum Mechanics Calculations With Continuum Solvation

ChemPhysChem, Volume 27, Issue 5, 13 March 2026.
Quantum mechanics conformer searches with continuum solvation models yield preferably collapsed conformations not confirmed by sophisticated nuclear magnetic resonance (NMR) experiments. Continuum solvation force‐field and explicit solvation molecular dynamics simulations result preferably in stretched conformations, hinting on general weaknesses of ...
Andreas H. Göller, Dieudonné T. Tshitenge   +1 more
wiley   +1 more source

Investigating the Applicability of the SAFER-YCL Care Bundle for Transitions From CAMHS Crisis and Liaison Services: The Barriers and Enablers. [PDF]

Health Expect
Roe J, Jones N, Lewis L, Tyler N, Panagioti M, Awhangansi S, Balan N, Wright N, Morriss R, Sayal K, Majumder P, Holland J.   +11 more
europepmc   +1 more source