Quantum Chemistry
9,662 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 2929-2940 of 9,662
Reducing quantum measurements in qubit-based overlapping grouping methods for quantum energy estimation through better initializations
Isaac L. Huidobro-Meezs, Rodrigo A. Vargas-Hernández
Reducing quantum resources for ADAPT-VQE via plateau-operator elimination and correlated mean-field downfolding
Phuoc Minh Vo, Thai Cong Ngoc Vu, Thien Ngoc Tran, Hoang Thanh Nguyen, Lan Nguyen Tran
Reductant-Activated Indium Phosphide Magic-Sized Clusters for Dual-Path Synthesis of Bright Blue Emitters and Narrow-Band Quantum Dots.
Huang Y, Zhang H, Zhu Y, Hu J, Zhao Z, Yang Y, Tang J, Du Z
Reevaluating Valence-Shell Electron Pair Repulsion and Hybrid Atomic Orbitals in Chemical Education.
Thomasi SS, Silva PRD, Freitas MP
Reference-Free Structure Elucidation of N-O Heterocyclic Ring Systems with Infrared Ion Spectroscopy: A Test Case of the Isoxazoline Insecticide Isocycloseram and Its MS/MS Fragment.
van Wieringen T, Chantzis A, Oomens J, Berden G, Saeed M, Perry SJ, Martens J
Refining Quantum Phase Estimation Precision Conditions on Unitaries for Many-Electron Systems
Jérémie Messud, Wassil Sennane
Refractory to Improvement: A Cautionary Tale of Two-Electron Densities Computed with One-Electron Basis Sets and of Their Employment in Quantum-Chemical Formalisms.
Cioslowski J, Domin J, Matito E
Regioselective Halogenation of BOPPY Fluorophores and Subsequent Diversification via Cross-Coupling and Aromatic Nucleophilic Substitution Strategies.
Oloo SO, Bobadova-Parvanova P, Lueders AA, Kim M, Fronczek FR, Smith KM, Vicente MDGH
Regulating Noncovalent Interactions to Construct High-Temperature Multiaxial Lead-Free Metal Halide Hybrid Ferroelectrics.
Fu D, Wang Q, Wu S, Zhao R, Chen S, Jia W, Wu Z, He Y, Li X, Mao X, Xu J, Fu DW, Luo J
Regulating Sub-1 nm Ru Clusters via Single-Atom Catalyst Support toward Efficient Anion Exchange Membrane Water Electrolysis
Tingting Li, Yuefeng Zhang, Shiqi Li, Hao Zhang, Yufeng Xu, Xinyi Liu, Xinya Tian, Junlin Huang, Tang Wang, Xiaozhi Su, Qi Zhang, Zhen-Yu Wu
Regulating the d-band center of tungsten‑molybdenum bimetallic alloys via incomplete carbon coating for enhanced proton dissociation and the photocatalytic hydrogen evolution of transition metal sulfides.
Miao RZ, Zhang YD, Chai WH, Sun YJ, Wang XJ, Luo X, Mu HY, Yang J, Li FT
Regulation of Energy and Mass Transport in a Hydrogen-Bonded Framework for Visible-Light-Driven CO(2) Reduction in Water.
Xu J, Zhang X, Ma L, Wu T, Wang H, Deng Y, Xia J, Qiu Z, Sun K, He A, Zhang J, Zhang X, Chen B