Results 121 to 130 of about 48,454 (295)

Contribution of Nonaxial n → σ* Orbital Interactions in Tetrel Bonding: A Case Study on Si…N Interactions

open access: yesChemPhysChem, EarlyView.
This study reveals the critical role of nonaxial n → σ* orbital interactions in stabilizing Si···N tetrel bonds. Through computational analysis and comparison with crystal structures, it is demonstrated that nonaxial interactions significantly enhance bond strength and complement conventional axial bonding, offering new insights into the nature of σ ...
Anjali Devi Vasarla   +2 more
wiley   +1 more source

On the geometry and Laplacian of a graph

open access: yesLinear Algebra and its Applications, 1991
zbMATH Open Web Interface contents unavailable due to conflicting licenses.
openaire   +2 more sources

UV–Vis Spectra of Carbonic Acid: Rationalizing Experimental Redshifts between Monomer and Bulk based on (H2CO3)n Calculations

open access: yesChemPhysChem, EarlyView.
In bulk carbonic acid (e.g., in interstellar icy dust grains) cluster formation produces two distinct UV‐Vis spectral features redshifted by ≈2 eV (25 nm) and by ≈5 eV (80 nm) compared to gas phase single molecule carbonic acid 's adiabatic ionization energy. Theory and experiment were used to investigate the origin of these shifts.
Dennis F. Dinu   +7 more
wiley   +1 more source

Use of PopPK and E‐R Analyses toward Explaining Causal Link Between ADAMTS13 in Recombinant vs. Plasma‐Based Therapies and Clinical Effects in cTTP

open access: yesClinical Pharmacology &Therapeutics, EarlyView.
Congenital thrombotic thrombocytopenic purpura (cTTP) is an ultra‐rare, potentially life‐threatening condition caused by a deficiency of the blood enzyme ADAMTS13. Until now, ADAMTS13 replacement has been achieved with infusions of plasma or plasma‐based therapies (PBT).
Munjal Patel   +11 more
wiley   +1 more source

Non‐Markovian Quantum Kinetic Simulations of Uniform Dense Plasmas: Mitigating the Aliasing Problem

open access: yesContributions to Plasma Physics, EarlyView.
ABSTRACT Dense quantum plasmas out of equilibrium are successfully modeled using quantum kinetic equations, such as the quantum Boltzmann, Landau, or Balescu–Lenard equation. However, these equations do not properly take into account correlation effects, which require the use of generalized non‐Markovian kinetic equations.
C. Makait, M. Bonitz
wiley   +1 more source

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