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 1357-1368 of 3,656
Molecular excitons in arylazopyrazole aggregates: a quantum chemical study.
Zehle A, Penschke C, Titov E
Molecular filling and metal ion-mediated DNA self-assembly strategy enable evaluation of lung cancer metastasis.
Kang X, Wang Y, Xiong Y, Chen P
Molecular interactions between halogenated bisphenol compounds and GPER: Spectroscopic, molecular simulation, and DFT calculations.
Li Z, Wei J, Ye H, Zheng Y, Yang H, Su C, Mo L, Jiang T, Nong C, Yi Z
Molecular Interactions of Pyridine With Water: A Combined DFT Benchmarking and QTAIM Analysis.
Baikété J, Tcheombe CG, Malloum A, Conradie J
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
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
Molecular structure controls sunlight-driven photodegradation and persistence of trace organic contaminants in surface waters.
Song R, Fu Y, Luo Z, Zhu S, Xue J, Spinney R, Williams RM, Xiao R
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
Molecular weight-dependent control of interfacial intermixing and dopant aggregation: a design principle for efficient solution-processed OLEDs.
Jang SH, Jeong JY, Park JH, Kim JY
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
Molecular-Level Decoding of Electron Transfer Dynamics in Metal Nanoclusters.
Huang KY, Yao Q, Deng HH, Chen W, Xie J
Molecular-level engineering of gel polymer electrolytes in sodium-ion batteries: a comprehensive computational study.
Solook MS, Alamdar S, Zarif M