Quantum Chemistry
9,538 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 1261-1272 of 9,538
Experimental comparison of electrochemical and quantum transport-based biodetection methods for RNA cancer biomarkers
Ajoke Williams, Keshani Gayathri Gunasinghe Pattiya Arachchillage, Subrata Chandra, Juan Manuel Artes Vivancos
Experimental determination of CO spectral line strengths and self-broadening coefficients at combustion-relevant temperatures.
Ruan S, Gao G, Wang Y, Huang W, Cai T
Experimental dipole moment prediction with a progressive 2D-3D hybrid framework and twin-pair-based diagnostic evaluation.
Ugurlu SY, He S
Experimental processing and quantum mechanical insights using surface modification of Nano-Fe3O4@Oleic acid for the removal of phenol
Marwah Shuwaili, Maad A. Hussein, Safa Abdulrazak Hardan, Khattab Al-Khafaji
Experimental Quantification of Spin-Phonon Coupling in Molecular Qubits using Inelastic Neutron Scattering
Stefan H. Lohaus, Kay T. Xia, Yongqiang Cheng, Ryan G. Hadt
Experimental Setup for In Situ Determination of Conductivity-Porosity-Pressure Relationships during Compression of Solid Electrolytes and of Cathode Active Materials.
Miß V, Lange F, Staubitz S, Roling B
Experimental straintronics in nanotube quantum dots
L. Huang, I. G. Rebollo, A. R. Champagne
Experimental Study Redefines the Mechanism of Heptamethine Cyanine Phototruncation.
Khan NM, Glotz G, Okoročenkova J, Dostál J, Kloz M, Derks MTGM, Pereverzev AY, Neshchadin D, Roithová J, Klán P
Experimental study, molecular docking, and quantum chemical investigation of a piperidinyl-acetamide derivative as a steel corrosion inhibitor
L. Maimoune, N. Timoudan, A. Marzaq, Ahmed A. Farag, I. Warad, M. Benkaddour, H. Zarrok, M. El Faydy, B. Tuzun, Abhinay Thakur, Y. Ramli, A. Zarrouk
Experimentally derived electronic structure and the bonding analysis in a supramolecular palladium(II) Phenanthroline–salicylate dimer from quantum crystallography
Matúš Lištiak, Rudolf Varga, Jan Moncol, Andrej Hlinčík, Lukáš Bučinský, Jozef Kožíšek
Explainable Artificial Intelligence (XAI) and Molecular Modeling Techniques to Discover Putative HER2 Inhibitors.
Rampogu S, Balasubramaniyam T, Yoon CH, Kim Y, Kubiak JZ, Lee KW
Explainable machine learning reveals how molecular descriptors govern micropollutant degradation in UV/H(2)O(2) oxidation.
Nurhayati M, Kim S, Lee BJ, Shon HK, Cho J, Lee S