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 2221-2232 of 9,538

Native topological readout on qubit hardware: a Fibonacci-chain benchmark of measurement-compilation trade-offs

Babatunde Moses Ayeni

2026 arXiv arXiv preprint

Natural chlocarbazomycins as potential adenosine A1 receptor antagonists: ligand-based and structure-based virtual screening, quantum chemical analysis and CNS MPO study.

Marinho EM, Lúcio FNM, da Rocha MN, de Oliveira VM, de Almeida-Neto FWQ, Marinho MM, Marinho ES, de Lima-Neto P

2026 PubMed Molecular diversity

Natural compounds extracted from medicinal herbs in the treatment of Parkinson's disease; Molecular Docking, Molecular Dynamics simulation, and Quantum Mechanical calculations

Ali Ebrahimi, Safie Sarhadinia, Haniyeh Baluch

2026 Crossref Journal of Molecular Graphics and Modelling

Nature and Dynamics of the Excited States of Ethynyl-Functionalized Naphthalimide-Phenanthroline Re(I) Complexes Studied by TA and TRIR Spectroscopies.

Biddulph J, Pižl M, Bhattacharya S, Malakar P, Greetham GM, Hartl F, Pryce MT

2026 PubMed The journal of physical chemistry. B

Nature of Emergent Moiré Excitations in MoSe(2)/WS(2) Moiré Superlattices.

Lu Z, Qi R, Dutta R, Xie J, Nie J, Wang Z, Feng Y, Kim W, Watanabe K, Taniguchi T, Raja A, Naik MH, Louie SG, Wang F

2026 PubMed Nano letters

Near surface donor-acceptor pairs in hydrogenated homoepitaxial diamond nanolayers

A. M. Romshin, A. P. Bolshakov, A. A. Zhivopistsev, A. V. Gritsienko, O. S. Kudryavtsev, P. A. Pivovarov, V. G. Ralchenko, I. I. Vlasov

2026 arXiv arXiv preprint

Near-frustration-free electronic structure Hamiltonian representations and lower bound certificates

Nicholas C. Rubin, Guang Hao Low, A. Eugene DePrince

2026 arXiv arXiv preprint

Near-Infrared Electrophosphorescence from 1-(Benzo[b]thiophen-2-yl)isoquinoline-Based Platinum(II) Complexes with Aromatic Thiol Bridging Ligands through Intramolecular Pt-Pt Interactions.

Shi Y, Gu S, Wong CH, Zhang Y, Li W, Liu J, Tao P

2026 PubMed Inorganic chemistry

Near-infrared II fluorescence imaging of PD-L1 and VEGF for assessing and early prediction of "T+A" therapeutic responsiveness in hepatocellular carcinoma.

Feng J, Zhang Y, Liu W, Zhang P, Xiao J, Feng Q, Wang Z, Zhang J, Zhong Y, Shi Z, Pan M, Zhang X, Liu J, Wang J

2026 PubMed Materials today. Bio

Near-Infrared Phosphorescence Micelles with λ(em) > 800 nm Constructed by Block Copolymers and Platinum(II) Complexes: Integrating Bioimaging and Tumor Chemotherapy.

Guo P, Wei W, Guo Q, Wang J, Li X, Zhang Z, He Q, Zhou JY, Bu W

2026 PubMed Langmuir : the ACS journal of surfaces and colloids

Near-Infrared Photonic Metal-Organic Frameworks.

Zheng HQ, Zhang Q, Cui Y, Qian G

2026 PubMed Accounts of chemical research

Near-infrared radiation modulates photosynthetic performance and antioxidant defence mechanisms in Azolla pinnata L.

Sompura Y, Bhatt U, Soni V

2026 PubMed Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology