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 1693-1704 of 3,656
Quantum Pharmacophore-Based Virtual Screening Enables Prospective Discovery of Chemotype-Diverse Dengue NS5 Inhibitors.
Martinov MN, Van Den Bergh A, Jacoby E, Kirov I, Nashev LG, Herasymenko O, Arrowsmith CH, Slater JW, Grell T, Maksimchuk K, Hack MD, Wu Z, Ohadi D, Borrenberghs D, Van Loock M, Mulakala C, Goethals O
Quantum scattering of NO A2Σ+ + Ne: Benchmarking the potential energy surface of the collision complex.
Craciunescu L, Costen ML, Paterson MJ
Quantum Seniority-Based Subspace Expansion: Linear Combinations of Short-Circuit Unitary Transformations for the Electronic Structure Problem.
Patel S, Jayakumar P, Huang R, Zeng T, Izmaylov AF
Quantum size-induced orbital splitting drives d-p hybridization for enhanced hydrogen evolution in anion-exchange membrane water electrolyzers.
Su H, Liu S, Geng S, Xu X, Wang X, Gao Q, Zhang M, Ma X, Li L
Quantum Spin Detection in Microfiltration Immunoassays for Ultrasensitive and High-Throughput Diagnostics.
Le TN, Lam XM, Tang YX, Hui YY, Liu AJ, Chang HC
Quantum Spin-1/2 Rings Built From [2]Triangulene Molecular Units.
Li C, Kumar M, Wang Y, Soler Polo DM, Wang YJ, Qi H, Liu L, Liu X, Guan D, Li Y, Zheng H, Liu C, Jia J, Liu PN, Jelínek P, Li DY, Wang S
Quantum tunneling on water. I. General framework for microdroplet redox chemistry.
Zhuang C, Qian N, Min W
Quantum tunneling on water. II. Quantitative rate formalism of barrierless electron transfer and application to oxidation reactions.
Zhuang C, Qian N, Min W
Quantum vibrational spectroscopy with classical trajectories.
Conte R, Aieta C, Ceotto M
Quantum Well-Enhanced Plasmonic Substrate to Enhance Spontaneously Blinking Fluorescence for Single-Molecule Localization Microscopy.
Hsieh SE, Lai JZ, Lai KY, Huang WC, Chien FC
Quantum well-inspired energy level design in multicomponent organic solar cells for improved energy loss management.
Dela Peña TA, Nadinov I, Huang TY, Xing Z, Chen L, Li Y, Garcia SA, Dong J, Luo Y, Yeung KL, Khan JI, Zhang G, Wu J, Sum TC, Ma R, Mohammed OF, Lam YM
Quantum-Augmented Federated AI for Adaptive Pharmacogenomic Precision Oncology: A Perspective.
Rafiq Z, Puebla Osorio N