Results 161 to 170 of about 51,763 (295)

Ab Initio Calculation of Energy Gap and Optical Gap of Organic Semiconductors PTCDA and PDI

open access: yesChemPhysChem, Volume 27, Issue 3, February 2026.
We benchmark electronic structure methods for predicting energy and optical gaps of three organic semiconductors from molecules to crystals. GW is most reliable for crystalline energy levels, while single‐molecule time‐dependent density functional theory with a polarizable continuum model delivers remarkable accuracy for some quantities at a much lower
Chieh‐Min Hsieh   +4 more
wiley   +1 more source

Customized Scattering‐Robust 3D Speckle Correlation for Improved Resolution and Imaging Depth in Scattering Tissue

open access: yesLaser &Photonics Reviews, Volume 20, Issue 3, 5 February 2026.
A scattering‐robust 3D speckle customization method is proposed to enhance both resolution and imaging depth in scattering tissue. Applied to light‐field microscopy (LFM), it improves 3D resolution by over twofold under strong optical scattering. In wide‐field fluorescence imaging, it enables a substantial improvement in imaging depth, allowing imaging
Yue Xing   +4 more
wiley   +1 more source

On the initial-boundary value problem for a nonlocal parabolic equation with nonlocal boundary condition

open access: yesЖурнал Белорусского государственного университета: Математика, информатика, 2018
We consider a nonlinear nonlocal parabolic equation ut = Δu + a(x,t)ur∫Ωup(y,t)dy - b(x,t)uq for (x,t) ∈ Ω × (0,+∞) with nonlinear nonlocal boundary condition u(x,t)|∂Ω × (0,+∞) = ∫Ωk(x,y,t)ul(y,t)dy and initial data u(x,0) = u0(x), x ∈ Ω, where r, p, q,
Alexander L. Gladkov   +1 more
doaj  

Fast 3D UTE in vivo T1 and T2*$$ {\mathrm{T}}_2^{\ast } $$ mapping of fast relaxing knee tissues at 3 T

open access: yesMagnetic Resonance in Medicine, Volume 95, Issue 2, Page 693-705, February 2026.
Abstract Purpose UTE MR imaging captures quantitative signals in fast‐relaxing tissues, enabling anatomical visualization and quantitative assessment of T1 and T2*$$ {\mathrm{T}}_2^{\ast } $$ relaxation times. However, the clinical application of quantitative UTE MRI is limited by long acquisition times.
Maik Rothe   +7 more
wiley   +1 more source

NONLOCAL BOUNDARY CONDITIONS FOR THE NAVIER–STOKES EQUATIONS [PDF]

open access: yesWaves and Stability in Continuous Media, 2006
LOMBARDO, Maria Carmela   +1 more
openaire   +2 more sources

Polymer‐Assisted Direct and Rapid Microwave Synthesis of Mesoporous Binary and Ternary Metal Oxides for Electrocatalytic Water Oxidation

open access: yesSmall, Volume 22, Issue 8, 6 February 2026.
A novel direct and facile microwave synthesis route to prepare mesoporous binary and ternary metal oxides with P‐123® as porogen is presented. NiFe2O4 is applied in alkaline Oxygen Evolution Reaction (OER) and shows improved performance in comparison to nanoparticular and Evaporation Induced Self‐Assembly (EISA)‐derived mesoporous NiFe2O4.
Jasmin Helgert   +3 more
wiley   +1 more source

Chemically Accurate Prediction of CO2 Adsorption Thermodynamics in Metal–Organic Framework CALF‐20: Complementary Ab Initio Modeling and Grand Canonical Monte Carlo Simulations

open access: yesSmall Structures, Volume 7, Issue 2, February 2026.
Ab initio thermodynamics and GCMC simulations reveal a cooperative two‐step CO2 pore filling mechanism in CALF‐20. The study captures adsorption energetics and loading‐dependent structural changes, reproducing experimental isotherms with chemically accurate predictions.
Kaido Sillar   +3 more
wiley   +1 more source

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