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 73-84 of 3,656
A Palladium(II)-Catalyzed Dehydrogenative Strategy to NIR-Emissive BODIPY Dimers and Trimers with Reactive Oxygen Species Generation Characteristics.
Pan C, Kang Z, Lv F, Zhang X, Zhang L, Wang L, Gao J, Hao E, Jiao L
A path to preventing cognitive impairment due to Alzheimer's disease: initiatives beginning in the USA.
Reiman EM, Alexander RC, Langbaum JB, Aisen PS, Ashton N, Atri A, Barbarino P, Byrd GS, Feldman HH, Fowler NR, Ghisays V, Grill JD, Hassenstab J, Heaton GR, Herring WL, Jack CR Jr, Johnson SC, Karlawish J, Keach NL, Kivipelto M, Krumholz HM, Largent EA, MaGee-Rodgers T, McDade E, Mielke MM, Molina-Henry D, Petersen RC, Rabinovici GD, Ritchie C, Schindler SE, Sperling RA, Suárez-Calvet M, Vradenburg G, Weiner MW, Welsh-Bohmer KA, Zetterberg H, Zuendel MT, Mattke S, Cummings JL
A peptide-functionalized quantum Dots/MOF nanosheets fluorescence biosensor for glutathione sensing and cellular imaging.
Chen T, Liang J, Liu W, Zhou F, Qiu C, Peng Y, Zhou X
A Perturbative Super-CI Approach for Orbital Optimization in Two-Component Relativistic CASSCF.
Guo Y, Dutta AK
A Photothermal Transducer Regulates Transmembrane Calcium Flow for Synergistic Osteoarthritis Therapy.
Yu C, Liu Y, Kang K, Yu J, Xia X, Deng Y, Lu Y, Yang H, Li L, Xu W, Zhang Y, Zhu X
A prediction framework for the state of health of an electric vehicle battery pack.
Wang FK, Kebede GA
A predictive acetylcholinesterase inhibition model: an integrated computational approach on alkaloids and synthetic derivatives.
Adarvez-Feresin C, Angelina E, Parravicini O, Enriz RD, Garro AD
A predictive descriptor for the d-band center in intermetallic alloys accelerates the design of robust molecular switches.
Yang S, Zhou J, Zhang Y, Cao G, Ren JC, Liu W
A Proposed Complete-Cycle Mechanism for Conversion of N(2) to NH(3) by Mo-Nitrogenase.
Dance I
A pyridinium cation engineering strategy to achieve high-performance X-ray scintillation of antimony halides.
Zhao YY, Chen JC, Zhang L, Chen J, Liao Q, Li ZQ, Lin M, Yao J, Zhong YW
A QM/MM study on triplet decay of 6-thioguanine and 6-selenoguanine with explicit solvent.
Mushtaq S, Liang J, Deng J, Bai S
A quantum leap at a time: In memory of Bruce D. Hammock.
Leal WS