Results 231 to 240 of about 162,690 (325)

Simulated Infrared and Raman Spectra of Phosphorus Allotropes

open access: yesJournal of Raman Spectroscopy, Volume 56, Issue 7, Page 567-576, July 2025.
In this computational work, we have systematically investigated the vibrational properties of white γ, white β, fibrous red, violet and black phosphorus allotropes by simulating their infrared (IR) and Raman spectra by means the density functional theory (DFT) level.
Laura Bonometti   +3 more
wiley   +1 more source

Assessing the Aromaticity of Fluorinated Benzene Derivatives Using New Descriptors Based on the Distributed Multipole Analysis (DMA) Partition of the Electron Density

open access: yesJournal of Physical Organic Chemistry, Volume 38, Issue 7, July 2025.
The effect of fluorination on the aromaticity of 12 compounds using a new set of descriptors based on the distributed multipole analysis (DMA) partition of the electron density was investigated. The decrease in the aromaticity of the investigated systems, depending on the number and position of the substituents, could be quantified.
Nathália M. P. Rosa   +2 more
wiley   +1 more source

Irradiated Coherent States in Magnetoresistance of 2D Electron Systems

open access: yesphysica status solidi (b), Volume 262, Issue 7, July 2025.
A theoretical approach on the microwave‐induced resistance oscillations based on the coherent states of the quantum harmonic oscillator is reported. The coherent state expression for the quantum oscillator under a time‐dependent force is calculated. It is found that the principle of minimum uncertainty of coherent states, involving time and energy, is ...
Jesús Iñarrea, Gloria Platero
wiley   +1 more source

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