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 829-840 of 9,538
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
Deletion Does Not Measure Contribution in Coupled-Channel Dynamics
Jin Lei, Hao Liu
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
Demonstration of a Spherical Penning Trap for Single Electrons
Zirui Fang, Xing Fan
Denoising Diffusion Monte Carlo Electron Densities with Physically Informed Variance Stabilization: From Fourier Filters to 3D UNETs
Kenneth O. Berard, Brenda Rubenstein, Jaron T. Krogel
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
Depth-Efficient Quantum Topological Data Analysis for Regime-Specific Detection of Financial Stress
Arul Rhik Mazumder, Shreyan Ronit Mazumder