Results 131 to 140 of about 168,598 (229)

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

An Estimation of the Heat Load Distribution on the Divertor Target Using the CSD Model

open access: yesContributions to Plasma Physics, EarlyView.
ABSTRACT Handling the heat load on the divertor target is a critical issue in the design of fusion reactors. Estimating the heat load, supported by computationally efficient simulations with varying design parameters, provides valuable input to high‐level design discussions and the development of design guidelines.
Kazuhiro Yamada   +4 more
wiley   +1 more source

Kinetic Contribution to the Arbitrary Order Odd Frequency Moments of the Dynamic Structure Factor

open access: yesContributions to Plasma Physics, EarlyView.
ABSTRACT An exact expression is derived for the kinetic contribution to the odd (arbitrary order) frequency moments of the dynamic structure factor via a finite summation that features averages of even (all lower orders) powers of the momentum over the exact momentum distribution.
Panagiotis Tolias   +2 more
wiley   +1 more source

Ultrafast Transitions in X‐Ray Irradiated Solids

open access: yesContributions to Plasma Physics, EarlyView.
ABSTRACT In this review, we present current developments on modeling ultrafast transitions in solids triggered by intense, atto‐ to femtosecond pulses from X‐ray free electron lasers. This specific irradiation regime requires dedicated simulation tools based on theoretical and computational methods, involving the elements of classical and quantum ...
Sebastião Antunes   +3 more
wiley   +1 more source

Confined Hot Carrier Cooling Via Excited‐State Energy Gap Engineering in Graphyne Carbon Allotropes

open access: yesENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
The excited‐state energy gap (EEG), regulated by the concentration of sp‐hybridized carbon, provides an effective handle for tuning electron–phonon coupling behavior. This design enables long‐lived confinement of hot carriers near the top of the EEG with controllable energy levels.
Fulong Dai   +9 more
wiley   +1 more source

Comparative Assessment and Benchmarking of Metaheuristic Algorithms for Dynamic Photovoltaic Array Reconfiguration Under Diverse Shading Environments

open access: yesEnergy Science &Engineering, EarlyView.
ABSTRACT The solar photovoltaic (PV) installations, which are essential for renewable energy systems, are vulnerable to partial shading, resulting in considerable power losses and operational inefficiencies. The dynamic reconfiguration of PV arrays has become an effective strategy to mitigate these effects by adaptively modifying the array topology to ...
Manoharan Premkumar   +3 more
wiley   +1 more source

Heteroatom location‐ and orientation mode‐dependent reverse intersystem crossing rate in multiple resonance emitters

open access: yesFlexMat, EarlyView.
By constructing two pairs of isomers with different heteroatom anchoring positions, the relationship between heteroatom location and orientation mode and reverse intersystem crossing rate constant (kRISC) in multiple resonance (MR) emitters is systematically investigated.
Tingting Huang   +5 more
wiley   +1 more source

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