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 1165-1176 of 3,656

Investigation of Reaction Kinetics of the Selective Hydrogenation of a Terminal Alkyne Under Industrially Relevant Conditions With Benchtop NMR Spectroscopy.

Sterner P, Hach M, Berg R, Stock C, Holland D, von Harbou E

2026 PubMed Magnetic resonance in chemistry : MRC

Investigation of the dynamic behavior of liquid transfer between two flat surfaces.

Moon H, Cho G, McKinley GH, Lee J

2026 PubMed Journal of colloid and interface science

Investigation of topological nodal line phonons in rhenium-based alkali metal oxides (AReO(4); A = Na, K, and Rb) using first principles methods.

Maddileti S, T A, Muñoz A, Errandonea D, Kennedy BJ, Vaitheeswaran G

2026 PubMed Physical chemistry chemical physics : PCCP

Investigation on porous media coating plus effect of carbon quantum dots and graphite nanoparticles on tubular solar still (TSS) productivity.

El-Fakharany MK, Elbrashy A, Rashad M, Faisal Qasim K

2026 PubMed Scientific reports

Iodine-Hoechst Enhances X-ray Sensitivity of Cancer Cells Under Normal and Low Oxygen Conditions.

Higashi Y, Goda M, Kobayashi S, Shinohara Y, Komatsu A, Tominaga M, Harada H, Tamanoi F, Uto Y, Matsumoto K

2026 PubMed Anticancer research

Ion-Lock Storage With Multi-Logic Circuitry Gated by Polar-Dipolar Interactions in Poly(Ionic Liquids).

Biswas S, Liu J, Austin J, Urban MW

2026 PubMed Angewandte Chemie (International ed. in English)

Ionization cross sections for collisions between fully stripped ions and ground state hydrogen atoms using the quasi-classical trajectory Monte Carlo method.

Ziaeian I, Tőkési K

2026 PubMed Scientific reports

IR Spectral density of υ(S)(N-H⃗) band of 3-phenylpyrazole polymorphs: Elucidation of the synergistic influences of vibrational mode dynamics, anharmonic coupling, and direct relaxation within the framework of linear response theory.

Alothoum MAS, Alshehab A, Alsaif NAM, Hachuła B, Rekik N

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

Iron-doped carbon dot nanozymes with fluorescence and enzyme-like activity as dual-mode sensor for the detection of tetracycline.

Li Z, Liu X, Zhang Y, Tong X, Liu J, Lei Y, Guo P, Liang W, Zhou M, Yang S

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

Iron-induced phase engineering for high color-purity blue LEDs in perovskites.

Cho Y, Park SW, Baek S, Yun D, Shin GY, Son H, Song S, Cho HW, Shin H, Lee TK, Kim GH

2026 PubMed Nanoscale

Irradiation of condensed CO reveals a new pathway for the formation of aromatic molecules in astrochemical ices.

Khan W, Ramachandran R, Gupta S, Meka JK, Venkataraman V, Rajasekhar BN, Janardhan P, Bhardwaj A, Mason NJ, Sivaraman B

2026 PubMed Life sciences in space research

Irrelevant Role of Level-Electrode Coupling Asymmetry in Driving Rectification in Molecular Tunnel Junctions: Decisive Experimental Evidence from Junctions with Dissimilar Electrodes.

Feng Y, Yang R, Bâldea I, Xie Z

2026 PubMed Small (Weinheim an der Bergstrasse, Germany)