Results 121 to 130 of about 20,968 (306)

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

Electrochemical Water Oxidation Mechanisms Involving Macrocyclic Copper(II) Complexes: Ligand Ring Size Effects on Catalytic Cycles

open access: yesChemPhysChem, EarlyView.
The ring size of the ligand strongly influences electronic properties, steric effects, and coordination modes of key intermediates. Both catalysts show similar energy barriers for OO bond formation, but [Cu(12‐TMC)]2+ exhibits more complex mechanisms due to ligand reorganization.
João Pedro C. S. Neves   +3 more
wiley   +1 more source

Perturbative and Numerical Approach on The Quantum Harmonic Oscillator with a Negative Gaussian Potential [PDF]

open access: diamond, 2019
Tony Sumaryada   +6 more
openalex   +1 more source

Flexible Chromatic VIS‐IR Meta‐Textile for Multi‐Scenario Stealth

open access: yesENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
A flexible chromatic meta‐textile was developed for multi‐spectral stealth across VIS‐IR bands, combining low color difference, ultralow infrared emissivity, and passive radiative cooling. The textile exhibits excellent VIS wide‐angle compatibility, optical durability, and mechanical flexibility, offering a promising solution for advanced stealth ...
Jian Wang   +8 more
wiley   +1 more source

Damping Modification Factors for Pile–Induced Filtering Effect

open access: yesEarthquake Engineering &Structural Dynamics, EarlyView.
ABSTRACT Period–dependent Damping Modification Factors are usually applied to the 5%–damped pseudo–acceleration response spectrum at free field conditions to derive the seismic demand for structures with damping ratio other than 5%. Likewise, the response spectrum at the foundation level of pile–supported structures may differ from the free field ...
Emmanouil Rovithis   +3 more
wiley   +1 more source

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