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 2101-2112 of 3,656
Terahertz Vibrational Condensation in Out-of-Equilibrium Nanoscale Reverse Micelles.
Murakami H
Terpyridine Eu(III) complexes combined with boric acid-functionalized carbon dots for on-site visual ratiometric fluorescence detection of anthrax spore biomarkers.
Wu J, Zhang Q, Zhou X, Zhang J, He M, Cao W, Sheng L, Liu Z, Hao F, Xu H
Testing electron-photon exchange-correlation functional performance for many-electron systems under weak and strong light-matter coupling.
Ahmadabadi I, Lu IT, Cunha LA, Ruggenthaler M, Flick J, Rubio A
Tetraborylated Multiple Resonance Emitter Incorporating B─O Bond-Embedded π-Extension for Ultra-Narrowband and High-Efficiency Blue Devices.
Zhao YC, Yang YT, Chen SP, Xie FM, Li YQ, Tang JX
Tetrazine Ligation on Semiconductor Quantum Dots Requires Specific Surface Coating and Tagging Architectures.
Bernal-Escalante J, Rees K, Baker DV, Algar WR
Textured piezoelectric ceramics with reduced grain size for high-frequency transducer applications.
Xiao Y, Yang S, Wang M, Wang Y, Li T, Li C, Li J, Li F
The 2026 guided acoustic waves roadmap.
Krenner HJ, Santos PV, Westerhausen C, Andersson G, Cleland AN, Sellier H, Takada S, Bäuerle C, Wigger D, Kuhn T, Machnikowski P, Weiß M, Moody G, Hernández-Mínguez A, Lazić S, Kuznetsov AS, Küß M, Albrecht M, Weiler M, Puebla J, Hwang Y, Otani Y, Balram KC, Chen IT, Lai K, Li M, Nash GR, Nysten EDS, Bhattacharjee P, Mishra H, Iyer PK, Nemade HB, Khelif A, Benchabane S, Feng G, Jin Y, Bartasyte A, Margueron S, Marangolo M, Thevenard L, Rovillain P, Gourdon C, Hage-Ali S, Elmazria O, Schmidt H, Yeo LY, Ambattu LA, Jeon JS, Kwak D, Rufo J, Yang S, Huang TJ
The accuracy of carbon-13 NMR magnetic-shielding tensors calculated using periodic DFT: a case study on the distinction of crystalline serine phases.
Rübartsch K, Hendrickx L, Bartalucci E, Plekhanov M, Zobel M, Bolm C, Fyta M, Wiegand T
The Angular Localization Function (ALF): A Practical Tool to Measure Solvent Angular Order with Molecular Density Functional Theory.
Souetre M, Rotenberg B, Jeanmairet G
The aromaticity of cyanine dyes: ring current and valence bond calculations.
Cunha AV, Neme NP, Havenith RWA
The ATP-independent dihydro-2-phenanthroyl-CoA reductase AprC catalyzes two consecutive two-electron reduction steps of dihydro-2-phenanthroyl-CoA to hexahydro-2-phenanthroyl-CoA in anaerobic phenanthrene degradation.
Samak NA, Adjir K, Götz F, Surmeneva A, Fax J, Haberhauer G, Meckenstock RU
The CP-PAW Code Package for First-Principles Calculations from a User's Perspective.
Blöchl PE, Schade R, Allen-Rump L, Rajpurohit S, Rathnakaran A, Tamoev K, Lokamani M, Kühne TD