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 1273-1284 of 9,538
Explaining the magnitude of Chirality-Induced Spin Selectivity via electron-electron exchange
Bence Csakany, Alex J. W. Thom
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 overcompleteness of Platonic-solid POVMs for shadow estimation
Dario Melegari, Stefano Mangini, Keijo Korhonen, Hetta Vappula, Daniel Cavalcanti
Exploiting singlet fission in para-azaquinodimethane nanoaggregates with high energy triplets to trigger phototoxic reactive oxygen species.
Sorbelli E, Cesaretti A, Alebardi M, Cantoni R, Carloni M, Munzone C, Grasso A, Di Michele A, Calzoni E, Fortuna CG, Spalletti A, Bonaccorso C, Carlotti B
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 celecoxib polymorph landscape using AIMNet2 machine learning interatomic potential.
Zheng P, Abramov YA, Sun CC, Isayev O
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.