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 2173-2184 of 9,662
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
Molecular recognition blueprint: Isolated conformers of Indole-3-acetic acid predispose the plant hormone for receptor binding.
Municio S, Mato S, Alonso JL, Alonso ER, León I
Molecular Resonance Identification in Complex Absorbing Potentials via Integrated Quantum Computing and High-Throughput Computing.
Dai J, Vidwans A, Wan EH, Miller AX, Soley MB.
Molecular structure controls sunlight-driven photodegradation and persistence of trace organic contaminants in surface waters.
Song R, Fu Y, Luo Z, Zhu S, Xue J, Spinney R, Williams RM, Xiao R