Výsledky vyhľadávania - "CHARGE exchange"

A kinetic model to simulate charge flow through an electro-chemical half-cell.

Autori: Veloza-Diaz, Diego Schmid, Friederike Cortes-Huerto, Robinson a ďalší

Zdroj: Journal of Chemical Physics. 10/28/2025, Vol. 163 Issue 16, p1-19. 19p.

Predmety: *ELECTRODES, *CHARGE exchange, *ELECTROCHEMICAL analysis, *VISCOSITY, *ELECTROCHEMISTRY

An extremely efficient algorithm for (2,2) dynamically weighted constrained complete active space calculations.

Autori: Chen, Junhan Wu, Xinchun Shao, Yihan a ďalší

Zdroj: Journal of Chemical Physics. 10/14/2025, Vol. 163 Issue 14, p1-15. 15p.

Predmety: *CHARGE exchange, *METALLIC surfaces, *ELECTROCHEMISTRY, *SELF-consistent field theory, *EXCITED states

Photoelectron spectroscopy and formation mechanism of Ta2N3⁻: Activation of N2 by Ta2N⁻.

Autori: Zhang, Yong-Hang Wang, Peng Liu, Kai-Wen a ďalší

Zdroj: Journal of Chemical Physics. 9/28/2025, Vol. 163 Issue 12, p1-9. 9p.

Predmety: *PHOTOELECTRON spectroscopy, *CHARGE exchange, *NITROGEN, *ORBITAL interaction, *CHEMICAL bonds

Photoinduced selective electrons transfer and secondary orbital splitting in CeO2 bulk.

Autori: Tang, Jun¹ charmantang@126.com

Zdroj: Journal of Chemical Physics. 9/21/2025, Vol. 163 Issue 11, p1-10. 10p.

Predmety: *CERIUM oxides, *CHARGE exchange, *SEMICONDUCTORS, *CATALYSIS, *DENSITY functional theory

Tutorial on computing nonadiabatic proton-coupled electron transfer rate constants.

Autori: Hutchison, Phillips Cui, Kai Zhong, Jiayun a ďalší

Zdroj: Journal of Chemical Physics. 9/7/2025, Vol. 163 Issue 9, p1-15. 15p.

Predmety: *CHARGE exchange, *COMPUTATIONAL chemistry, *POTENTIAL energy, *ELECTROCHEMISTRY, *QUANTUM theory

A multiset matrix product state approach to hierarchical equations of motion and its application to vibrational relaxation on metal surfaces.

Autori: Zhang, Shuocang Liu, Zhiyan Bao, Peng a ďalší

Zdroj: Journal of Chemical Physics. 9/7/2025, Vol. 163 Issue 9, p1-13. 13p.

Predmety: *CHARGE exchange, *POTENTIAL energy, *METALLIC surfaces, *ENERGY dissipation, *ELECTRON-phonon interactions

Coherent modified Redfield approach to describe photoinduced proton-coupled electron transfer.

Autori: Venkataraman, Charulatha¹ vcharu@imsc.res.in

Zdroj: Journal of Chemical Physics. 8/28/2025, Vol. 163 Issue 8, p1-19. 19p.

Predmety: *CHARGE exchange, *PHOTOINDUCED proton transfer, *HAMILTONIAN systems, *NUCLEAR vibrational states, *WAVE packets

Activated electron transfer at zero reorganization energy induced by a fluctuating donor–acceptor coupling.

Autori: Valianti, Stephanie Skourtis, Spiros S.

Zdroj: Journal of Chemical Physics. 6/28/2025, Vol. 162 Issue 24, p1-14. 14p.

Predmety: *REORGANIZATION energy, *CHARGE exchange, *BAND gaps, *ENERGY function, *VALUES (Ethics), *POLARONS

Correlated vibration–solvent and Duschinsky effects on electron transfer dynamics and optical spectroscopy.

Autori: Zhu, Zi-Fan Su, Yu Wang, Yao a ďalší

Zdroj: Journal of Chemical Physics. 6/21/2025, Vol. 162 Issue 23, p1-10. 10p.

Predmety: *OPTICAL spectroscopy, *CHARGE exchange, *SPECTROMETRY, *SOLVENTS, *SPHERES

Repeated interaction scheme for the quantum simulation of non-Markovian electron transfer dynamics.

Autori: Northcote, Lea K. Teynor, Matthew S. Solomon, Gemma C.

Zdroj: Journal of Chemical Physics. 6/14/2025, Vol. 162 Issue 21/22, p1-12. 12p.

Predmety: *ENERGY levels (Quantum mechanics), *CHARGE exchange, *COUPLING schemes, *MODELS & modelmaking, *ALGORITHMS

Ultrafast charge transfer in two-dimensional black phosphorus/SiS van der Waals heterostructure for photoconversion.

Autori: Wang, Leyao Li, Shunfang Zhang, Lili

Zdroj: Journal of Applied Physics. 5/21/2025, Vol. 137 Issue 19, p1-7. 7p.

Predmety: *CHARGE exchange, *OPTOELECTRONIC devices, *MOLECULAR dynamics, *HETEROSTRUCTURES, *COUPLINGS (Gearing)

Two-dimensional electronic spectroscopy of Betaine-30.

Autori: Meech, Stephen R. Bull, James N. Bressan, Giovanni

Zdroj: Journal of Chemical Physics. 5/14/2025, Vol. 162 Issue 18, p1-11. 11p.

Predmety: *OXIDATION-reduction reaction, *CHARGE exchange, *EXCITED states, *ELECTRONIC excitation, *POPULATION dynamics

Effects of electron transfer network topology on functioning of quantum cellular automata based on mixed-valence two-electron molecular squares.

Autori: Palii, Andrew Belonovich, Valeria Korchagin, Denis a ďalší

Zdroj: Journal of Chemical Physics. 4/14/2025, Vol. 162 Issue 14, p1-15. 15p.

Predmety: *EXCESS electrons, *CHARGE exchange, *VIBRONIC coupling, *CELLULAR automata, *ELECTRON pairs

Enhancing reaction efficiency in photochemical organic synthesis by controlling the dynamic effects of excitons.

Autori: Mitsunuma, Harunobu Matsubara, Ryosuke

Zdroj: Journal of Chemical Physics. 3/14/2025, Vol. 162 Issue 10, p1-11. 11p.

Predmety: *CHARGE exchange, *ORGANIC synthesis, *EXCITON theory, *MOLECULES, *CATALYSTS

Energetic backflow ions caused by microwave neutralizer in gridded ion thruster.

Autori: Nono, Ayumu Muranaka, Takanobu Yamashita, Yusuke a ďalší

Zdroj: Journal of Applied Physics; 11/21/2025, Vol. 138 Issue 19, p1-14, 14p

Predmety: HIGH-frequency discharges, QUARTZ crystals, ION energy, GAS flow, CHARGE exchange

Residual charge dependence of spin transport in chiral biomolecules.

Autori: Galante, Mario Tarakeshwar, Pilarisetty Palma, Julio L. a ďalší

Zdroj: Journal of Chemical Physics; 11/7/2025, Vol. 163 Issue 17, p1-6, 6p

Predmety: BIOMOLECULES, RESIDUAL charges, ELECTRON spin, ALANINE, POLARIZATION (Nuclear physics), CHARGE exchange

Photophysical properties of perylenebisimide derivatives studied by time-resolved transient optical and electron paramagnetic resonance spectroscopy.

Autori: Li, Wenhui Li, Jiayu Kurganskii, Ivan a ďalší

Zdroj: Journal of Chemical Physics; 10/28/2025, Vol. 163 Issue 16, p1-17, 17p

Predmety: ATOMS, ELECTRON paramagnetic resonance spectroscopy, MOLECULAR structure, ORGANIC reaction mechanisms, CHARGE exchange

Marcus cross relation in the space of H-atom abstraction reactions boosted through off-diagonal thermodynamics.

Autori: Kovář, Jan Andris, Erik Wojdyla, Zuzanna a ďalší

Zdroj: Journal of Chemical Physics; 10/14/2025, Vol. 163 Issue 14, p1-13, 13p

Predmety: HYDROGEN atom, ABSTRACTION reactions, THERMODYNAMICS, CHARGE exchange, ORGANIC synthesis

Conductive materials change the composition and activity of butyrate-degrading enrichment cultures with hydrogen as the main electron shuttle.

Autori: Braga, Cátia S.N. Sequeira, João C. Duarte, M. Salomé a ďalší

Zdroj: Journal of Environmental Sciences (Elsevier). Jan2026, Vol. 159, p624-634. 11p.

Predmety: CHARGE exchange, ACTIVATED carbon, MICROBIAL communities, MAGNETITE, ZEOLITES, BUTYRATES

Microwave-assisted synthesis of CQDs/ZnO hollow microspheres for complete NOx oxidation under visible light.

Autori: Liu, Yan Shi, Xianjin Cui, Long a ďalší

Zdroj: Journal of Environmental Sciences (Elsevier). Jan2026, Vol. 159, p1-9. 9p.

Predmety: FOURIER transform infrared spectroscopy, CHARGE exchange, VISIBLE spectra, PHOTOCATALYSTS, CHARGE transfer