Quantum Chemistry

8,661 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 1597-1608 of 8,661

Molecular Excited States using Quantum Subspace Methods: Accuracy, Resource Reduction, and Error-Mitigated Hardware Implementation of q-sc-EOM

Srivathsan Poyyapakkam Sundar, Prince Frederick Kwao, Alexey Galda, Ayush Asthana

2026 arXiv arXiv preprint

Molecular excitons in arylazopyrazole aggregates: a quantum chemical study.

Zehle A, Penschke C, Titov E

2026 PubMed Scientific reports

Molecular filling and metal ion-mediated DNA self-assembly strategy enable evaluation of lung cancer metastasis.

Kang X, Wang Y, Xiong Y, Chen P

2026 PubMed Biosensors & bioelectronics

Molecular Kondo Lattice with Pure π-Magnetism on a Superconductor.

Chen G, Zhu GL, Sun RJ, Lü JT, Duan G, Yu R, Zhang WH, Yang LZ, Zhou JW, Guo TF, Liu CF, Zhai T, Fu YS

2026 PubMed The journal of physical chemistry letters

Molecular recognition blueprint: Isolated conformers of Indole-3-acetic acid predispose the plant hormone for receptor binding.

Municio S, Mato S, Alonso JL, Alonso ER, León I

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

Molecular Resonance Identification in Complex Absorbing Potentials via Integrated Quantum Computing and High-Throughput Computing.

Dai J, Vidwans A, Wan EH, Miller AX, Soley MB.

2026 Europe PMC J Chem Theory Comput

Molecular Structure, Theoretical NBO Analysis, Vibrational Spectrum of CO<sub>2</sub>-Responsive Hydroxyamidine-Based Ionic Liquid: A Combined Computational and Experimental Approach

Lyazzat Abulyaissova, Nikolay Barashkov, Irina Irgibaeva, Yerbolat Tashenov

2026 DOAJ Molecules

Molecular Surface Self-Accumulation Toward High-Efficiency and Mechanically Robust Flexible Perovskite Solar Cells.

Han R, Weng P, Huangfu Y, Dong S, Zhang X, Shang C, Wang C, Zhou B, Qu D, Zhang Z, Sun L, Zhao W, Wang S, Wei S, Bi Y, Pan M, Wu J, Zhu R, Tu Y

2026 PubMed Advanced materials (Deerfield Beach, Fla.)

Molecular-level biomimetic integration of phosphorus-doped graphene quantum dots with silver nanoparticles for highly stable and active nanozymes: Application in ultrasensitive ascorbic acid detection.

Peng Y, Ruiyi L, Zaijun L

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

Molecular-Level Decoding of Electron Transfer Dynamics in Metal Nanoclusters.

Huang KY, Yao Q, Deng HH, Chen W, Xie J

2026 PubMed Accounts of chemical research

Molecular-level engineering of gel polymer electrolytes in sodium-ion batteries: a comprehensive computational study.

Solook MS, Alamdar S, Zarif M

2026 PubMed Physical chemistry chemical physics : PCCP

Molecularly imprinted ratiometric fluorescent sensor based on dual-emission carbon dots for selective detection of tetracycline.

Wu J, Du H, Qian Y, Chen S, Zhu X, Xu Q

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