Results 151 to 160 of about 162,690 (325)

Influence of Compactness and Crystallinity on Hole Transfer Ability of Nickel Oxide Layer in Modal Coupling Regime

open access: yesChemistry – A European Journal, EarlyView.
This study investigates how structural properties influence the hole migration behavior of nickel oxide (NiOx). Our findings reveal that both crystallinity and compactness significantly affect the hole transport capability of NiOx layers. The Au‐NPs/NiOx/Pt‐film photocathode exhibited cathodic photocurrent at wavelengths below 800 nm, with a maximum ...
Tomoya Oshikiri   +9 more
wiley   +1 more source

Quantum quench in non-relativistic fermionic field theory: harmonic traps and 2d string theory

open access: yesJournal of High Energy Physics, 2019
We investigate a class of exactly solvable quantum quench protocols with a finite quench rate in systems of one dimensional non-relativistic fermions in external harmonic oscillator or inverted harmonic oscillator potentials, with time dependent masses ...
Sumit R. Das, Shaun Hampton, Sinong Liu
doaj   +1 more source

Quantum Chemistry Based Simulation of Enantioseparation on Cyclodextrin‐ and Polysaccharide‐Based Chiral Stationary Phases

open access: yesChemistry – A European Journal, EarlyView.
We employed a systematic quantum chemistry‐based computational approach for simulating chiral HPLC, incorporating high‐level DFT methods. For the popular polysaccharide‐based CSPs, 90%$\%$ of determined elution orders were computed correctly. Abstract We assess the capability of modern quantum chemical methods to simulate enantioseparation on chiral ...
Linda Nelles‐Ziegler   +2 more
wiley   +1 more source

Linear and Two‐Dimensional Infrared Spectroscopy of the Multifunctional Vibrational Probe, 3‐(4‐Azidophenyl) Propiolonitrile. Deperturbing a Fermi Triad by Isotopic Substitution

open access: yesChemPhysChem, Volume 26, Issue 6, March 15, 2025.
Linear infrared spectroscopy combined with isotope labeling and density functional theory unravels the origin of a Fermi triad in a multifunctional vibrational chromophore. Ultrafast 2DIR‐spectroscopy reports directly on the dynamics and the intramolecular vibrational energy flow pathways in the isotopically deperturbed system. Abstract Infrared probes
Claudia Gräve   +4 more
wiley   +1 more source

Anisotropy Factor Spectra for Weakly Allowed Electronic Transitions in Chiral Ketones

open access: yesChemPhysChem, Volume 26, Issue 6, March 15, 2025.
Anisotropy factor spectra for the weak n→π*‐type A‐band of chiral ketones cannot be described within the Franck–Condon approximation. Thus, we present such spectra computed by accounting for Herzberg–Teller corrections and compare them to experiments for fenchone, camphor and 3MCP to describe chiroptical properties of these molecules in the mid to near
Leon A. Kerber   +5 more
wiley   +1 more source

Superintegrable Oscillator and Kepler Systems on Spaces of Nonconstant Curvature via the Stäckel Transform

open access: yesSymmetry, Integrability and Geometry: Methods and Applications, 2011
The Stäckel transform is applied to the geodesic motion on Euclidean space, through the harmonic oscillator and Kepler-Coloumb potentials, in order to obtain maximally superintegrable classical systems on N-dimensional Riemannian spaces of nonconstant ...
Ángel Ballesteros   +4 more
doaj   +1 more source

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