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From the 1 of 7 linked papers with an AI index.

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20242026
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7 papers

physics.chem-ph2026

Strong-Field Coulomb Explosion of Ethane, Propane, and Butane in Circularly Polarized Laser Fields

Yuxuan Hu, Roy Lau, Cody Covington +1

The paper studies how intense circularly polarized laser pulses cause Coulomb explosion and fragmentation of small alkanes (ethane, propane, and n‑butane) using real‑time time‑depe…

physics.chem-ph2025

Ab initio study of highly charged ion-induced Coulomb explosion imaging

Misa Viveiros, Samuel S. Taylor, Cody Covington +1

We present a theoretical investigation of ion-induced Coulomb explosion imaging (CEI) of pyridazine molecules driven by energetic C projectiles, using time-dependent density…

physics.chem-ph2025

Low-energy proton impact dynamics on hydrocarbons: Dependence on kinetic energy and incident site

Misa Viveiros, Roy Lau, Samuel S. Taylor +4

The dynamics of low-energy proton collisions with hydrocarbon with hydrocarbon molecules are investigated using real-time time-dependent density functional theory. Through systemat…

cond-mat.mtrl-sci2024

Time-dependent density-functional study of hydrogen adsorption and scattering on graphene surfaces

Samuel S. Taylor, Nicholas Skoufis, Hongbo Du +2

Time-dependent density-functional theory simulations are performed to examine the effects of varying incident points and kinetic energies of hydrogen atom projectiles on a graphene…

physics.chem-ph2024

Quantum effects of Coulomb explosion simulations revealed by time-dependent density-functional theory

Samuel S. Taylor, Cody Covington, Kálmán Varga

This study investigates the influence of quantum effects on Coulomb explosion dynamics using time-dependent density functional theory (TDDFT) simulations, comparing classical, semi…

physics.chem-ph2024

CH(A) Radical Formation in Coulomb Explosion from Butane Seeded Plasma Generated with Chirp-Controlled Ultrashort Laser Pulses

Karoly Mogyorosi, Balint Toth, Krisztina Sarosi +12

We experimentally studied the formation of CH(A) radicals in butane seeded plasma generated with chirp-controlled ultrashort laser pulses (\(\sim 760 \, μ\text{J}/\text{pulse}\),…