Quantum Chemistry

3,656 papers from PubMed

Quantum Chemistry Research Context

This Quantum Articles category organizes published quantum research papers so readers can browse focused work by topic, source, and year.

Showing 1513-1524 of 3,656

Optical spectra of plasmonic Au clusters and nanoparticles obtained using the TDDFT+U method.

Chaudhary M, Lermé J, Weissker HC

2026 PubMed Nanoscale

Optical Tweezers in Emulsion Research: Principles, Advances, and Prospects.

Ma Q, Jin H, Shang X, Pardy T, Scheler O, Bartkova S, Cojoc D, Garoli D, Jin S

2026 PubMed Langmuir : the ACS journal of surfaces and colloids

Optimization of electron transfer pathways in atomically precise metal nanoclusters: catalyzing a leap in solar water oxidation.

Su P, Liu JL, Xiao FX

2026 PubMed Chemical science

Optimization of lens size and ion source parameters for gas chromatography/mass spectrometry-based metabolomics using hydrogen as a carrier gas.

Sato M, Hayasaka R, Soga T, Hirayama A

2026 PubMed Journal of chromatography. A

Optimization of the synthetic parameters for efficient NIR luminescence in ytterbium-doped CsPbCl(3) perovskite quantum dots.

Li D, Wu J, Li Z, Ji X, Wang W, Hong Z, Wang X, Lei L

2026 PubMed Chemical communications (Cambridge, England)

Optimizing cross-domain transfer for universal machine learning interatomic potentials.

Kim J, You J, Park Y, Lim Y, Kang Y, Kim J, Jeon H, Ju S, Hong D, Lee SY, Choi S, Kim Y, Lee JW, Han S

2026 PubMed Nature communications

Optoelectronic Characterization of Trap Density of States in Indium Gallium Oxide Thin-Film Transistors and Their Impact on Bias Stability.

Kim SY, Lee JJ, Hur JS, Kim B, Hong JP, Han SJ, Yeon E, Kim JW, Jeong JK, Hwang DK

2026 PubMed ACS applied materials & interfaces

Optoelectronic Enhancement in Nanostructured h‑BN Synthesized Using Pulsed Ultrasonication.

Tony A, Mahato R, Bhaumik A

2026 PubMed ACS omega

Oral Administration of Berberine-Based Carbon Dots Target Ferric Iron to Alleviate Atherosclerosis.

Li X, Wang Y, Chen C, Jiang S, Yu Z, Gao Y, Chen Y, Yang X, Li B, Qin L, Fan J, Li L, Wang G

2026 PubMed ACS applied materials & interfaces

Orbital Surface Hopping with an Electron Thermostat Yields Accurate Dynamics and Detailed Balance.

Ma YT, Dou W

2026 PubMed Journal of chemical theory and computation

Orbital-Optimized Unitary Coupled Cluster for Indirect Nuclear Spin-Spin Coupling Constants within a Quantum Linear Response Framework.

Fuglsbjerg JH, Reinholdt P, Kjellgren E, Jensen PWK, Coriani S, Kongsted J, Sauer SPA

2026 PubMed Journal of chemical theory and computation

Orbital-Ordering Switch for Tunable Magnetic Anisotropy in Two-Dimensional CrCl(2).

Liu N, Wang P, Zhao Y, Zhou S, Zhao J, Yuan H

2026 PubMed The journal of physical chemistry letters