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 133-144 of 3,656

Acetaldehyde as CH(2) (+•) Acceptor: Characterization of an Ionic Adduct Possibly Playing a Role in the Astronomical Environment.

Corinti D, Rap DB, Brünken S, Gerlach M, Chiavarino B, Fornarini S, Mayer P, Crestoni ME

2026 PubMed ACS physical chemistry Au

Achieving Charge Balance in Red InP-Based QLEDs through a Novel ZnO@hydroxides Electron Transport Layer.

Xiao H, Wang C, Hou R, Hu R, Zhang S, Shi F, Yuan S, Zhang X, Shen H

2026 PubMed Nano letters

Achieving the aqueous phosphorescence of carbon dots from solid state for dual-channel detection of dopamine.

Zhao J, Zhang H, Zhou S, Yang X

2026 PubMed Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Achieving zT ≥ 1.0 in a Cd(3)P(2)-Based System via Alloying Minor Arsenic.

Peng K, Zheng S, Xiong Q, Gu Z, Tian M, Lu X, Gao P, Wang G, Zhou X, Zhang S

2026 PubMed ACS applied materials & interfaces

Acid-/Base- and Site-Hindrance-Induced Cage Transformation and Hierarchical Self-Assembly of Regular Nanoaggregates.

Li M, Shi YQ, Guo T, Su L, Zhou C, Bai Q, Pan HF, Wu T, Zhang Z, Su PY, Xie TZ, Wang P

2026 PubMed ACS applied materials & interfaces

Acoustic Cavitation-Induced Unfolding and Solubilization of Velvet Antler Protein for Antioxidant Peptide Release: Substrate Modification Kinetics, Quantum Chemistry, and Keap1/Nrf2-Associated Cellular Responses.

Xin X, Wang H, Park S, Yan C, Li Q, Du R, Li X

2026 PubMed Ultrasonics sonochemistry

Activating aqueous room temperature phosphorescence in N, S, B co-doped carbon dots for Fe(3+) detection and anti-counterfeiting.

Zhao L, Feng W, Hao C, Yuan L, Liu L, Yang X, Bai Y, Feng F

2026 PubMed Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Activating Ionic Carbon Nitrides via Epitaxial Dyadic Coupling for Efficient Solar-Driven H(2)O(2) Generation.

Tong H, Zhao C, Pelicano CM, Antonietti M

2026 PubMed Advanced science (Weinheim, Baden-Wurttemberg, Germany)

Activation of methane by U+ studied by guided ion beam tandem mass spectrometry and quantum chemistry.

Kumar S, Armentrout PB, de Jong WA

2026 PubMed The Journal of chemical physics

Activation of Small Molecules by Heavier Analogs of Cyclic(Alkyl)(Amino)Carbenes (CAACs): A DFT Study.

Cai B, Vasko P

2026 PubMed Inorganic chemistry

Active enrichment of circulating tumor DNA by supramolecular-functionalized micromotors for ultrasensitive quantification.

Ran Z, Yu Y, Lin X, Wang Y, Hu X, Qin H, He Q

2026 PubMed Biosensors & bioelectronics

ADAM17 inhibition by the common antihistamine drug fexofenadine dampens soluble proinflammatory TNF-α release.

Puthiyottil S, Jose D, Kuriakose N, Skaria T

2026 PubMed Biochemical pharmacology