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 397-408 of 3,656

Comparing the Photophysical Properties of Bridged and Unbridged Platinum(II) Cyclometalated Complexes.

Matharu GK, Soto MA, Patrick BO, Kamal S, Lelj F, MacLachlan MJ

2026 PubMed Inorganic chemistry

Comparing the structure and photoluminescence properties of Bi-doped lead-free double perovskites prepared by solution-based synthesis and green mechanochemistry.

Chahal S, Würth C, Güttler A, Resch-Genger U, de Camargo ASS

2026 PubMed Scientific reports

Comparison of the Structure of Advanced Organic Electrode Materials, TAPT and "TAQ", by Multinuclear NMR and Stability Analysis.

Litterio JM, Finkelstein SH, Sun Z, Cerri KM, Schmidt-Rohr K

2026 PubMed The journal of physical chemistry. A

Comparison of three plasma p-tau217 assays to detect PET-confirmed Alzheimer's pathologies.

Matsuura S, Tagai K, Tatebe H, Goto R, Matsumoto H, Oyama A, Momota Y, Ichihashi M, Kataoka Y, Matsuoka K, Kokubo N, Kamada T, Osawa K, Chishiki Y, Moriguchi S, Komatsu Y, Seki C, Takahata K, Endo H, Kudo T, Higuchi M, Tokuda T

2026 PubMed Alzheimer's & dementia (Amsterdam, Netherlands)

Competition between predissociation and autoionization in molecular hydrogen above the ionization threshold: A high-resolution spectroscopy and velocity map imaging study.

Wang J, Han X, Cui X, Xu F

2026 PubMed The Journal of chemical physics

Competitive cell transplantation in rat mammary tissue and its use for radiation-induced cell competition and tumor clonality assays.

Nagata K, Nishimura-Yano Y, Hosoki A, Kudo KI, Daino K, Nishimura M, Imaoka T

2026 PubMed Journal of radiation research

Complete set of isodesmic reactions for the accurate thermochemistry of three- and four-atom CNO-compounds.

Khursan SL, Akhmetshina ES

2026 PubMed Journal of molecular graphics & modelling

Comprehensive Comparison of Molecular Fragmentation Schemes for Proteins.

Rüther K, Bunge K, Hilmer LM, Hellmers J, König C

2026 PubMed Journal of chemical theory and computation

Computation of Partial Auger Decay Widths from Complex-Valued Equation-of-Motion Coupled-Cluster Energies.

Matz F, Gkogkos A, Jagau TC

2026 PubMed The journal of physical chemistry. A

Computational assessment of the antioxidant activity of maculosin: a theoretical approach.

Trang HTT, Thuy PT, Ha NX

2026 PubMed Journal of molecular modeling

Computational carrier dynamics across heterojunction interface between hole injection and transport layers in quantum-dot light-emitting diodes.

Jung SM, Kim Y, Jo JW, Thelen DM, Mlejnek M, Zhang C, Kim JM

2026 PubMed Scientific reports

Computational dual-loop frameworks bridging single-enzyme design and cascade tunnel network engineering for next-generation biosynthetic systems.

Li Y, Du G, Chen J, Lv X, Liu L

2026 PubMed Biotechnology advances