Results 201 to 210 of about 67,162 (295)

Rotationally Resolved Electronic Spectroscopy of UO₂. [PDF]

J Phys Chem Lett
Han J, Lin J, Heaven MC.
europepmc   +1 more source

Design Principles for Next Generation of Small Organic Molecules for Photodynamics Therapy Revealed by Nonadiabatic Molecular Dynamics

Chemistry – A European Journal, EarlyView.
Molecular design reshapes the landscape of excited‐state relaxation. Nonadiabatic dynamics reveal how electronic structure guides population flow between competing pathways beyond static energetic arguments. ABSTRACT Nitrobenzochalcogenadiazole derivatives are emerging candidates for photodynamic therapy (PDT), yet the precise mechanisms governing ...
Vinícius N. da Rocha, Davide Avagliano, Paulo C. Piquini   +2 more
wiley   +1 more source

Relativistic Modeling of K- and L‑Shell Decay in Sulfur Ions across Oxidation States. [PDF]

ACS Phys Chem Au
Li Z, Wang Y, Yan R, Yuan K, Becker U.
europepmc   +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

ChemPhysChem, 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, Jörg Lindner, Stefan Flesch, Luis I. Domenianni, Peter Vöhringer   +4 more
wiley   +1 more source

Single photon superradiance enhanced light-matter interaction in spatially ordered shape and volume controlled single quantum dots: enabling on-chip photonic networks. [PDF]

Nanophotonics
Jordao L, Chattaraj S, Huang Q, Lu S, Zhang J, Madhukar A.   +5 more
europepmc   +1 more source

Anisotropy Factor Spectra for Weakly Allowed Electronic Transitions in Chiral Ketones

ChemPhysChem, 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, Oliver Kreuz, Tom Ring, Hendrike Braun, Robert Berger, Daniel M. Reich   +5 more
wiley   +1 more source

NIPS: Network Inference with Partial State measurements using forced-delay embedding. [PDF]

PNAS Nexus
Singhal B, Kiss IZ, Li JS.
europepmc   +1 more source

Ultrafast Transitions in X‐Ray Irradiated Solids

Contributions 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, Konrad J. Kapcia, Vladimir Lipp, Beata Ziaja   +3 more
wiley   +1 more source

Samarium-Doped Lead Phosphate Glass: Optical Experiments and Calculations Using the Judd-Ofelt Theory. [PDF]

Materials (Basel)
Pisarska J, Pisarski WA.
europepmc   +1 more source

Selective Optical Properties of Cement for Enhanced Radiative Cooling and Energy‐Efficient Construction Materials

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Cement phases are good materials for radiative cooling thanks to the selective emissivity in IR ATW. Cement powders have high reflectance of solar radiation which reduces the thermal losses. The onset of the absorption curves is defined by bound excitons. Sulfates have higher radiated powers and reflectance than calcium silicates.
Jozef Janovec, Guido Goracci, Jorge S. Dolado, Andrés Ayuela   +3 more
wiley   +1 more source