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 661-672 of 3,656
Efficient Electrocatalytic Conversion of CO(2) to Pure Formic Acid Solutions via Strain-Engineered Bismuth Nanosheets.
Li S, Zhang Y, Qiao P, Wu C, Tian X, Xu Y, Zhang Y, Wang P, Li T, Afaq M, Luo X, Wang T, Liu C, Yu ZY, Xia C, Gao MR, Wu ZY
Efficient exploration of peptide libraries using active learning with AlphaFold-based screening.
Gaza J, Santos JBW, Singh B, Miranda-Quintana RA, Perez A
Efficient Force Evaluation via Fragmentation: Toward Geometry Optimization of Protein-Ligand Systems with Quantum Mechanical Accuracy.
Han R, Bo Z, Yan J
Efficient green electroluminescence enabled by a cyano-modified double-boron-embedded multi-resonance framework.
Ye Z, Gui C, Guo X, Xiao S, Xue Z, Xu D, Miao J, Gong S, Cao X, Yang C
Efficient Halogen Radical-Mediated Photosynthesis of Cyclic Carbonates over Perylene Diimide-Grafted Zirconium Metal-Organic Frameworks with Visible Light Irradiation.
Liang R, Zhang C, Wang Y, Wu L, Zhao Y, Liang S, Yan G, Long J
Efficient Implementation of the Spin-Free Renormalized Internally-Contracted Multireference Coupled Cluster Theory.
Szenes K, Kayal R, Sivalingam K, Feldmann R, Neese F, Reiher M
Efficient methanol upcycling to ethylene glycol and glycolaldehyde via divergent C-C coupling synthesis.
Qi MY, Tan CL, Tang ZR, Conte M, Sun Y, Xu YJ
Efficient Photocatalytic H(2)O(2) Production in a Quasi-Homogeneous System Utilizing Conjugated Polymer Nanoparticles.
Tong Y, Lu Y, Tian Y, Luo J, Jiang Y, Zhao C, Wu W
Efficient Prediction of Transition-Metal NMR Chemical Shifts Using Machine Learning: Do Two-Dimensional Descriptors Suffice?
Isaev YI, Kovalev AE, Ksenofontov AA, Makarov DM, Khodov IA
Efficient pure-red multiple resonance emitter based on a donor planarization strategy.
Li L, Xu Y, Zhang D, Qu Y, Wang Y, Li C
Efficient QM/MM Modeling of Enzymatic Reactions Combining PathCV with OPES.
Rivas-Fernández JP, Calvelo M, Sagiroglugil M, Liao Q, Rovira C
Efficient Sky-Blue Narrow-Band Thermally Activated Delayed Fluorescence Emitters Integrating Charge-Transfer and Multiple-Resonance Character Based on Indolocarbazole.
Li X, Xu H, Wei Z, Liu T, Du Y, Miao Y, Tao P, Wang H