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 1069-1080 of 9,662
Efficient classical representation and quantum state preparation of complete active space wavefunctions
Hamza Jnane
Efficient classical simulation of large-scale unitary cluster Jastrow circuits
Hrishikesh Belagali, Thomas Van Camp, R. Pradeep, Sourin Das, Namit Anand, Ryan LaRose
Efficient computational modeling of Raman spectra of liquids and solutions.
Katsyuba SA, Gerasimova TP, Burganov TI, Grimme S
Efficient conjugation of chelator agents to IgG and accurate colorimetric determination of the chelator-to-IgG molar ratio.
Yokoyama M, Shiraishi K, Komatsu T, Iguchi Y, Ohta H, Matsumura Y, Tsuji AB
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 identification of allergenic epitopes and analysis of the peptide recognition mechanism in tropomyosin of prawn (penaeus chinensis) through quantum chemistry computational framework
Xiangfei Hu, Qiannan Jiang, Hui Wang, Pingwei Wen, Yueming Hu, Zongcai Tu
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