Results 141 to 150 of about 14,175 (293)

Diffusion of Carbamazepine in Hydrophobic Zeolites: A Comparative Study Using Classical and Machine‐Learned Potentials

Chemistry – A European Journal, EarlyView.
Can hydrophobic, shape‐selective zeolites efficiently remove the persistent pharmaceutical CBZ from water? This work moves beyond the static picture of interaction energies by modeling diffusion with umbrella sampling and machine‐learned potentials. Even high intrinsic diffusion barriers can be overcome through exergonic adsorption from water, yielding
Jakob Brauer, Richard Kendra, Carlos Bornes, Lukáš Grajciar, Michael Fischer   +4 more
wiley   +1 more source

High‐Temperature Heat Pump Test Bench with n‐Butane (R‐600) Generating Steam

Chemie Ingenieur Technik, EarlyView.
This work involves building a test bench for a high‐temperature heat pump (HTHP) and analyzing the measurements. The focus is on steam generation using an HTHP to decarbonize process steam demand. The findings indicate that stable steam generation is possible, providing a higher heat transfer coefficient in the heat pump's condenser.
Sebastian Benkert, Lukas Joos, Ursula Wittstadt, Torsten Will, Andreas Burger, Lena Schnabel, Stefan Henninger, Thorsten Klahm   +7 more
wiley   +1 more source

Two-step Lorentz transformation of force

, 2010
Lorentz transformation of force is derived in a more natural way using two boost transformations and corresponding Thomas-Wigner rotation.
Ilakovac, Amon, Popov, Luka
core  

Author Correction: Impact of the Lorentz force on electron track structure and early DNA damage yields in magnetic resonance-guided radiotherapy. [PDF]

Sci Rep, 2023
Yachi Y, Kai T, Matsuya Y, Hirata Y, Yoshii Y, Date H.   +5 more
europepmc   +1 more source

Solvation Structure and Dynamics of the Thiocyanate Anion in mixed N,N‐Dimethylformamide‐Water Solvents: A Molecular Dynamics Approach

ChemPhysChem, Volume 26, Issue 6, March 15, 2025.
The solvation structure and dynamics of the SCN− anion in mixed N, N‐Dimethylformamide (DMF)‐water liquid solvents is investigated using classical molecular dynamics simulations. A preferential solvation of SCN− by the water molecules is observed in the first hydration shell, followed by a second shell consisting by both DMF and water molecules.
Ioannis Skarmoutsos, Ilias G. Karvounis
wiley   +1 more source

Impact of the Lorentz force on electron track structure and early DNA damage yields in magnetic resonance-guided radiotherapy. [PDF]

Sci Rep, 2022
Yachi Y, Kai T, Matsuya Y, Hirata Y, Yoshii Y, Date H.   +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

Author Correction: Influence of nanoparticles aggregation and Lorentz force on the dynamics of water-titanium dioxide nanoparticles on a rotating surface using finite element simulation. [PDF]

Sci Rep, 2023
Ali B, Siddique I, Ahmad H, Askar S.
europepmc   +1 more source

Biomagneto-Hydrodynamic Williamson Fluid Flow and Heat Transfer Over a Stretching Surface: A Spectral Quasi-Linearization Approach

East European Journal of Physics
The flow and heat transfer of a Williamson fluid subjected to a magnetic field are analyzed and investigated through the spectral quasilinearization method (SQLM).
Kairavadi Suresh Babu, Vangala Sugunamma, Vamsi Krishna Narla   +2 more
doaj   +1 more source

Enhancing hydrogen evolution reaction by harnessing bubble dynamics regulation: Principles, methods, and outlook

Droplet, EarlyView.
Bubble dynamics pose critical bottlenecks to hydrogen evolution reaction efficiency, causing active site isolation, increased ohmic resistance, and concentration overpotential, especially at high current densities. This review comprehensively summarizes passive and active bubble manipulation strategies, elucidates their underlying principles, and ...
Ziwei Guo, Chunhui Zhang, Yunxun Liu, Yi Han, Jinghang Pan, Lingyao Zhang, Chuanqi Nie, Yuejing Zhao, Kesong Liu, Cunming Yu, Lei Jiang   +10 more
wiley   +1 more source