Quantum Chemistry
8,661 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 961-972 of 8,661
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 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
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
Explicitly correlated and CBS study of the internal rotation in CH(3)SH, CH(3)SD, CD(3)SH, CD(3)SD, (13)CH(3)SH, and CH(3)(34)SH molecules, including corrections on anharmonic ZPVE and relativistic effects.
A Pitsevich G, E Malevich A, S Baranau H, U Sapeshka U, A Kamnev A
Explicitly Correlated Gaussian Basis Approach to Periodic Systems
Kalman Varga
Exploiting Ultrathin Layer to Realize Simultaneous High Electroluminescence Efficiency and Color Quality in Hybrid White Organic Light-Emitting Diodes.
Deori U, Kumar V, Gandeepan P, Rajamalli P
Exploration of carbon quantum dots in supercapacitor and battery energy storage systems: A comprehensive review
Sense Mametja, Ugashnie Visinthie Pearce, Jeremia Shale Sefadi
Exploring allomelanin: A comparative analysis via natural product extraction and synthesis.
Aman S, Irie LM, Su S, Siwicka ZE, La Clair JJ, Kalaj BN, Latawiec EI, Karanjkar P, Wasielewski MR, Dhinojwala A, Burkart MD, Farha OK, Gianneschi NC
Exploring Biological Quantum Effects in Photosynthesis across Varied Spatial Scales.
Ruan M, Weng Y
Exploring chemical reactivity and molecular interactions of hydrochlorothiazide-isonicotinamide cocrystal hydrate: A comparative spectroscopic and quantum chemical study using hydrochlorothiazide-4-aminobenzoic acid cocrystal
Areeba Khan, Neelam Agrawal, Rajni Chaudhary, Arti Yadav, Ayush Shukla, Preeti Prajapati, Jaya Pandey, Aditya Narayan, Yeganeh Donyanavard, Poonam Tandon, Venu R. Vangala
Exploring Hückel Molecular Orbital Energies through Variational and Phase Estimation Quantum Algorithms.
Han DB, Hu KM, Lim HT, Kim HW.