Quantum Chemistry

9,538 papers

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 1825-1836 of 9,538

Investigating the stabilizing influences of organic sidechains in epoxides by rotational spectroscopy and computational chemistry: 1,2-epoxyhexane versus 1,2-epoxy-5-hexene.

James D, Reynolds A, van Wijngaarden J

2026 PubMed Physical chemistry chemical physics : PCCP

Investigation of a novel tri -graded CsGeI3-CsSnxGe1-xI3-Cs2AgBiI6 perovskite absorbers architecture integrated with single walled carbon nanotube (SW-CNT) for enhanced spectral harvesting in 2D quantum dot solar cells

Smriti Baruah, Janmoni Borah

2026 Crossref Physica B: Condensed Matter

Investigation of Automated Design of Quantum Circuits for Imaginary Time Evolution Methods Using Deep Reinforcement Learning

Ryo Suzuki, Shohei Watabe

2026 arXiv arXiv preprint

Investigation of effective line strengths of N(2)O(4) at 7.8 μm using a continuous-wave quantum cascade laser spectrometer.

Zhu Q, Yin S, Shi X, Fang Y, Cheng Z, Hong Y, Yu B, Cui X

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

Investigation of Hyperfine Interactions in Molecular Spin Qubits Constructed from A Nitronyl-Nitroxide Ligand and Transition Metal Ions.

Martins DOTA, Spinu CA, Sheveleva A, Hillebrand M, Tuna F, Andruh M

2026 PubMed Inorganic chemistry

Investigation of platinum substitution by Nickel: Analysis of electronic structure, open-circuit voltage (OCV), Fermi-Dirac function, and quantum capacitance - Application to PEMFC fuel cells

Abdelmajid Assila, Ikram Belkoufa, Mohamed El Bouanounou, Nour El Haq El Macouti, Amine Alaoui-Belghiti, El-Kebir Hlil, Abdelowahed Hajjaji, Said Laasri

2026 Crossref International Journal of Hydrogen Energy

Investigation of quantum chemical studies of niclosamide in different solvents using DFT calculations.

Genç F, Kandemirli F

2026 PubMed Journal of molecular modeling

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

Investigation on Wavelength-Dependent Light Extraction Efficiency of InGaN-Based Micro-LED Structures Using Numerical Simulations

Chibuzo Onwukaeme, Han-Youl Ryu

2026 DOAJ Photonics