Results 171 to 180 of about 1,637 (264)

Non‐Bivariational Time‐Dependent Orbital‐Quasi‐Optimized Coupled‐Cluster Methods Family for Fermion‐Mixtures Dynamics

Journal of Computational Chemistry, Volume 47, Issue 22, August 15, 2026.
ABSTRACT Recently, [JCP 161, 114114 (2024)] successfully derived numerically stable and converging (to the time‐dependent complete active space self‐consistent‐field) time‐dependent orthogonal coupled cluster (CC) methods, namely, time‐dependent orbital optimized CC (TD‐ooCC) methods for fermion‐mixtures with arbitrary fermion kinds and numbers, via ...
Haifeng Lang, Takeshi Sato
wiley   +1 more source

Acid Sulfite Pulping of Hemp: Effects of Processing Conditions on Lyocell Pulp Quality

Journal of Polymer Science, Volume 64, Issue 16, Page 3364-3381, 15 August 2026.
Industrial hemp is emerging as a promising renewable source for next‐generation textile fibers. This study evaluates whether acid sulfite pulping can produce hemp‐based dissolving pulp suitable for lyocell manufacturing. While the process is historically linked to increased cellulose accessibility, it did not achieve the low lignin content and ...
Lelia Lawson, Bernardo A. Souto, Wade Chute, Patricia I. Dolez   +3 more
wiley   +1 more source

Robust Generation of Topological Biphoton Mode via Adiabatic Passage

Nanophotonics, Volume 15, Issue 15, 13 August 2026.
Topological waveguide arrays support robust mode propagation in the presence of fabrication imperfections, providing a significant advantage for on‐chip quantum information processing. However, this robustness does not fully extend to nonlinear biphoton generation.
Jaesung Lim, Jihwan Kim, Dong‐Gil Im, Kyungdeuk Park, Dongkyu Kim, Yonggi Jo, Yong Sup Ihn   +6 more
wiley   +1 more source

Monitoring soil salinization and waterlogging in the northeastern Nile Delta linked to shallow saline groundwater and irrigation water quality. [PDF]

Sci Rep
Hagage M, Abdulaziz AM, Elbeih SF, Hewaidy AGA.   +3 more
europepmc   +1 more source

Accelerated “On‐the‐Fly” Coupled‐Cluster Path‐Integral Molecular Dynamics: Impact of Nuclear Quantum Effects on An Asymmetric Proton

Journal of Computational Chemistry, Volume 47, Issue 21, August 5, 2026.
Accelerated on‐the‐fly CC‐PIMD combines quantum ring‐polymer contraction with a CCSD/HF force decomposition to treat electron correlation and nuclear quantum effects simultaneously. For an asymmetric shared proton, NQEs reshape proton localization and induce NMR shielding changes comparable to electron correlation.
Thomas Spura, Hossam Elgabarty, Thomas D. Kühne   +2 more
wiley   +1 more source

Phosphoinositide binding by the PH domain in ceramide transfer protein (CERT) is inhibited by hyperphosphorylation of an adjacent serine-repeat motif. [PDF]

J Biol Chem, 2018
Sugiki T, Egawa D, Kumagai K, Kojima C, Fujiwara T, Takeuchi K, Shimada I, Hanada K, Takahashi H.   +8 more
europepmc   +1 more source

Integrating Coupled‐Cluster Theory Within AI Workflows for Accurate Molecular Geometries

Journal of Computational Chemistry, Volume 47, Issue 21, August 5, 2026.
The Λ$$ \Lambda $$DDCC framework accelerates CCSD geometry optimizations by replacing expensive, iterative solvers with neural network predictions of wavefunction amplitudes. By utilizing a physically grounded MO representation, this method accurately recovers CC parameters to yield reliable nuclear gradients.
Shahzad Akram, Konstantinos D. Vogiatzis
wiley   +1 more source

Guiding differently for travelling like them: the Egyptian-Ottoman publicist Safa and his 1913 Arabic guidebook to the late Ottoman capital. [PDF]

J Tour Hist
Okan OC.
europepmc   +1 more source

Linking Device Performance to Nanoscale Photoactivation of Grain Boundaries in 2D Hybrid Halide Perovskites

Advanced Materials Technologies, Volume 11, Issue 15, 7 August 2026.
The opto‐electronic response of polycrystalline (PEA)2PbBr4 thin films is investigated by correlating macroscopic photodetector performance with nanoscale mapping techniques. Grain boundary density is systematically tuned through crystallization control and linked to device responsivity.
Camilla Bordoni, Lorenzo Calcaterra, Andrea Ciavatti, Silvia Milita, Valentina Bonino, Lorenzo Margotti, Sara Cepić, Marisa Di Sabatino, Federico Boscherini, Daniela Cavalcoli, Beatrice Fraboni   +10 more
wiley   +1 more source

Stokes‐Based 3D Polarimetric Analysis of Dipolar Near‐Fields

Advanced Photonics Research, Volume 7, Issue 8, August 2026.
Characterizing the near‐field polarization of dipolar emitters is of growing importance in nanophotonics, since many subwavelength systems resemble their emission. In this work, we apply the 3D Stokes formalism and its intrinsic reference frame to analyze the polarization properties of various dipole emitters from the near‐ to the far‐field, allowing a
Guillermo Serrera, Yael Gutiérrez, José J. Gil, Fernando Moreno   +3 more
wiley   +1 more source