Results 41 to 50 of about 101,301 (257)

Intra- and inter-metabolite correlation spectroscopy of tomato metabolomics data obtained by liquid chromatography-mass spectrometry and nuclear magnetic resonance

open access: yes, 2008
Nuclear magnetic resonance (NMR) and liquid chromatography-mass spectrometry (LCMS) are frequently used as technological platforms for metabolomics applications.
de Vos, C.H.   +5 more
core   +1 more source

Tensor representation of quadrupole expansion for softened potentials in N-body simulations

open access: yes, 2023
A tensor representation for quadrupole expansion is proposed as a recipe for n-body simulations of collisionless stellar systems that do not perform the direct summation method, as is the case of TREECODE.
Marinho, Eraldo Pereira [UNESP]
core   +1 more source

When Poor Exciton Dissociation Limits Photocurrents in Organic Solar Cells: Why Low Offset Non‐Fullerene Acceptor Blends Can't Be Efficient

open access: yesAdvanced Materials, EarlyView.
The energetic offset between the donor and the acceptor components in organic photoactive layers is central to the tradeoff between photovoltage and photocurrent losses. This Perspective covers the most important issues surrounding this topic in non‐fullerene acceptor blends, from the difficulty of accurately determining state energies and driving ...
Dieter Neher, Manasi Pranav
wiley   +1 more source

Photoassociation of a cold-atom–molecule pair: Long-range quadrupole-quadrupole interactions

open access: yes, 2010
The general formalism of the multipolar expansion of electrostatic interactions is applied to the calculation of the potential energy between an excited atom (without fine structure) and a ground-state diatomic molecule at large mutual separations.
Lepers, M.   +6 more
core   +1 more source

Enhancement of specular behavior in atom mirrors with quadrupole-active transitions

open access: yes, 2023
Modern studies have confirmed the possibility of making atomic mirrors using quadrupole-active atomic transition evanescent waves. The reflection process has been shown to be enhanced to approach specular behavior in several ways.
S. Al-Awfi
core   +1 more source

Large‐Scale Determination of Frontier Orbital Energies of Disordered Small‐Molecule Organic Semiconductors Using Exciplex Emission Spectra

open access: yesAdvanced Materials, EarlyView.
ABSTRACT Accurately knowing the frontier orbital energies of the structurally disordered small‐molecule organic semiconductors that are used in optoelectronic devices such as organic light‐emitting diodes is required to rationally improve their performance. Here, we show that these energies can be deduced with a large accuracy from the peak energies of
Christian B. McDonald   +7 more
wiley   +1 more source

Derivation of the radial dependence of the quadrupole force from a Woods-Saxon potential

open access: yesNuclear Physics A, 1970
Abstract For use in calculation of collective quadrupole phenomena we construct a modified quadrupole force, whose radial dependence is related to that of a Woods-Saxon well. Matrix elements and self-consistent interaction strengths are compared to those of the usual quadrupole force, which is based on a harmonic oscillator potential.
Kumar, K., Sorensen, B.
openaire   +2 more sources

Quadrupole topological phases in the zero-dimensional optical cavity

open access: yes, 2020
The quadrupole topological insulator, which supports robust corner states, has been recently demonstrated in two-dimensional (2D) spatial lattices. Here, we design the first photonic quadrupole topological insulator in fully synthetic spaces with the ...
Xiangdong Zhang, Weixuan Zhang
core   +1 more source

Second‐Harmonic Hyper‐Mie Optical Activity Enables Closed‐Loop Chiral Photochemistry

open access: yesAdvanced Materials, EarlyView.
Nonlinear chiral photochemistry is demonstrated in CdTe/CdO nanohelices, where circularly polarized infrared light both drives and tracks photo‐oxidation via second‐harmonic scattering. This closed‐loop process reveals real‐time structural evolution, including shell fracturing and core exposure, accompanied by a transition from hyper‐Mie to hyper ...
Hoyeon Choi   +6 more
wiley   +1 more source

Machine Learning Accelerated Computational Design of Bio‐Inspired Catalysts in the Nitrogen Reduction Reaction

open access: yesAdvanced Materials, EarlyView.
We introduce a computational workflow that combines quantum chemical calculations and machine learning techniques to predict the catalytic performance of a wide range of catalysts in the nitrogen reduction reaction (NRR). The analysis of the trained models provides insights into the complex structure–activity relationship in experimental catalytic ...
Leonardo Di Ciano   +5 more
wiley   +1 more source

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