Results 171 to 180 of about 197,019 (229)

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

open access: yesChemistry – 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   +2 more
wiley   +1 more source

The Electronic Spin State of Diradicals Obtained from the Nuclear Perspective: The Strange Case of Chichibabin Radicals

open access: yesChemPhysChem, Volume 26, Issue 6, March 15, 2025.
The electronic spin state of two Chichibabin radicals is investigated using 2‐dimensional hyperfine correlated Electron Nuclear Double Resonance. The protons (I=1/2) act as a reference for the electronic spin quantum number (S) via their hyperfine interactions.
Gabriel Moise   +7 more
wiley   +1 more source

Photometric Diagnostic of the Sheath Dynamics and Electron Density Trends in Single and Dual Frequency CCRF Argon Plasmas

open access: yesContributions to Plasma Physics, EarlyView.
ABSTRACT A methodological study is presented on a noninvasive photometric diagnostic for determining trends in electron density and sheath dynamics in single (1f) and a dual (2f) radio frequency capacitively coupled (CCRF) argon plasmas. The 1f discharges are operated at 13.56 and 27.12 MHz, respectively, while the 2f discharge is driven by both ...
Daniel Zuhayra   +3 more
wiley   +1 more source

Universal progression of structure and dynamics in colloidal nanocrystal gels during salt-accelerated aging. [PDF]

open access: yesSci Adv
Ofosu CK   +17 more
europepmc   +1 more source

Stopping Power of Electron Liquid for Slow Quantum Projectiles

open access: yesContributions to Plasma Physics, EarlyView.
ABSTRACT We revisit the problem of the deceleration of a charge moving in a medium. In the low‐velocity limit of the projectile, we construct the fully nonlinear (in the charge–target interaction) theory of the stopping power (SP), which goes beyond the classical Ehrenfest dynamics.
Vladimir U. Nazarov, E. K. U. Gross
wiley   +1 more source

Probability prediction of true‐triaxial compressive strength of intact rocks based on the improved PSO‐RVM model

open access: yesDeep Underground Science and Engineering, EarlyView.
In this work, we propose an improved particle swarm optimization (PSO) algorithm and develop an improved PSO‐relevance vector machine (RVM) model as a substitute for traditional true‐triaxial testing. The model's high prediction accuracy was validated through comparisons with two other machine learning methods and five three‐dimensional Hoek–Brown type
Qi Zhang   +4 more
wiley   +1 more source

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