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 2101-2112 of 9,538
Molecular engineering via C=N imine bridge and heterocycle modulation: Constructing red-emissive quinolinium probes for ratiometric and high-fidelity detection and imaging of bisulfite.
Wu CY, Liu N, Ma Z, Liang T, Tian M, Li Y, Zhong K, Tang L, Yan X
Molecular Excited States using Quantum Subspace Methods: Accuracy, Resource Reduction, and Error-Mitigated Hardware Implementation of q-sc-EOM
Srivathsan Poyyapakkam Sundar, Prince Frederick Kwao, Alexey Galda, Ayush Asthana
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 Implementation of the Machine-Learned Skala Exchange-Correlation Functional in CP2K through GauXC
Franz Pöschel, Johann Pototschnig, Frederick Stein, Andreas Knüpfer, Thijs Vogels, Stefano Battaglia, Sebastian Ehlert, Jürg Hutter, Thomas D. Kühne
Molecular insights into the protective effects of phenolic acid addition on blueberry wine sensory profiles via sensomics and quantum mechanics
Zhijun Guo, Yue Wang, Yajuan Li, Tengfei Zhao, Xueqiu Wang, Tingting Ma, Yulin Fang, Xiangyu Sun
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 quantum control algorithm design by reinforcement learning
Anonymous
Molecular qubits: opportunities and challenges
Xiaowei Zhang, Wensheng Bian
Molecular recognition and quantum mechanical characterization of ChEBI-derived ligands targeting TDRD11
Mahmoud A.A. Ibrahim, Dina E.M. Mohamed, Mohamed A.A. Attia, Peter A. Sidhom, Lamiaa A. Mohamed, Yanshuo Han, Alaa H.M. Abdelrahman, Mohamed A. El-Tayeb