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 517-528 of 3,656
Defect-state-controlled carrier recombination dynamics in nonmetal-doped brookite TiO(2).
Xiang Y, Long K, Sun D, Wang H, Ma D, Zheng S, Wang S, Zhang J, Fan J, Gan L, Zhou X
Defective three-dimensional covalent organic frameworks for enhanced hydrogen peroxide photosynthesis and organic transformation.
Dong T, Xu X, Chen L, Yang J, Guo M, Zhou M, Xu M, Xue W, Ren X, Li S, Cheng C
Defects and defect-mediated engineering of two-dimensional materials: challenges and open questions.
Krasheninnikov AV, Batzill M, Delenda AA, Drndić M, Ewels C, Franke KJ, Ghorbani-Asl M, Holleitner A, Jorio A, Kaiser U, Kieczka D, Komsa HP, Kotakoski J, Längle M, Lamprecht D, Liu Y, Louie SG, Maultzsch J, Michely T, Milton K, Niggas A, Okuno H, Robinson JA, Schleberger M, Schuler B, Shluger A, Suenaga K, Thygesen KS, Wilhelm RA, Åhlgren EH, Bittencourt C
Degradation of tris-(2-chloroisopropyl) phosphate initiated by OH and ClO radicals in environment: Mechanisms, kinetics, toxicity and molecular design of substitutes.
Liu F, Lu C, Tang Y, Pan Y
Delayed Halide-Rich Molecular Passivation of CsPbCl(3) Perovskite Nanocrystals Enables Bright Violet Light-Emitting Diodes.
Fiuza-Maneiro N, Ye J, Jeong WH, Xu R, Wang Q, Chung DY, Taylor RA, López-Fernández I, Xue B, Rao A, Lee BR, Zhang Y, Hoye RLZ, Gómez-Graña S, Polavarapu L
Delocalized Triplet State for Efficient Generation of Superoxide Radical.
Zhang J, Teng KX, Zhang H, Zhao H, Kuang Z, Yang QZ, Li Y, Xia A
Densely Fluorinated Polymer Dots with Peak Absorption beyond 1000 nm for High-Contrast NIR-II Fluorescence Imaging.
Liu Y, Li W, Xu M, Li Y, Fang X, Wu C
Density Functional Theory Calculations of Spin Polarization for Diradicals in Single-Molecule Junctions.
Nguyen KA, Pachter R
Deriving General Energy Predictors for Pnictogen Bonding.
Langwald J, Frontera A
Design and Characterization of Dual-Modal Fluorinated BODIPY Probes.
Ayaz N, Rosati M, Damoli M, Perez Rosas JC, Pizzi A, Metrangolo P, Orlandi S, Penconi M, Cavazzini M, Baldelli Bombelli F
Design and Evaluation of Gellan/Boron-dipyrromethene as a Photoactive Hydrogel and Efficiency as Antiyeast Activity.
Ghorai S, Ghorai P, Bera D, Pramanick S, Das S, Karmakar AJ, Ghosh D, Datta PK, Banik A, Ganguly J
Design and implementation of Cs/GO/TiO(2) nanocomposite for controlling sulfamethoxazole.
Amin KS, Ghanem MS, Mahmoud MM, El-Srougy AG, Elhaes H, Ibrahim MA