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 757-768 of 3,656
Environment-Induced Renormalization of Molecular Polarizabilities.
Fiedler J
Environmental Contributions to Proton Sharing in Protein Low-Barrier Hydrogen Bonds.
Lin J, Gerlits O, Kneller DW, Weiss KL, Coates L, Clarke JL, Hix MA, Effah SY, Kovalevsky A, Walker AR, Wilson MA
Enzyme and biosurfactant production as strategy for bis(2-ethylhexyl) phthalate degradation by Fusarium culmorum: Metabolic pathway proposal using quantum chemical investigation.
Hernández-Sánchez B, Santacruz-Juárez E, Figueroa-Martínez F, González-Pérez M, González-Márquez A, Castañeda-Antonio D, Portillo-Reyes R, Viniegra-González G, Sánchez C
Eremophilane sesquiterpenes from Ligularia macrophylla.
Gao N, Li GL, Zha XT, Yang HY, He YL, Shen T
Error-Mitigation Enabled Multicomponent Quantum Simulations beyond the Born-Oppenheimer Approximation.
A Cabral DG, Allen B, Pavošević F, Hammes-Schiffer S, Díez-Valle P, Baker JS, Saxena G, Kyaw TH, Batista VS
Establishing Atomic Coherence in Twisted Oxide Membranes Containing Volatile Elements.
Kim YH, Ghanbari R, Jung MH, Zhang Y, Kim YM, Xu R, Chi M
Estimating Protein Conformational States from High-Speed AFM Images with Molecular Dynamics and Deep Learning.
Sato K, Kanaoka Y, Tsukazaki T, Uchihashi T, Mori T
Europium (III)-salicylate embedded carboxymethyl cellulose thin film immunosensor for ultrasensitive detection of breast cancer biomarker CA15-3: comprehensive experimental and computational insights.
Mohammed KG, Mahdy EM, Radwan EM, Abdellateif MS, Abdelgawad ME, Algethami FK, Attia MS, Abou-Omar MN
Europium-decorated carbon quantum dots for dual Cu(2+)/Fe(3+) detection and live-cell bioimaging.
Mohandoss S, Gnanasekaran L, Sekar R, Iyyappan J, Durai M, Shanmugapriya D, Velu KS, Ahmad N, Somu P
Evaluating MS-ANI vs SS-ANI for Surface Hopping Simulations: A Cyclohexadiene Photochemical Ring-Opening Case Study.
Medhi B, Morang M, Sarma M
Evaluation of acrylate and epoxy photopolymers used in 3D printing for chemical compatibility with trace atomic spectroscopy applications.
Rweyemamu AR, Bélteki Á, Kajner G, Urbán O, Cseh M, Geretovszky Z, Janovák L, Galbács G
Evaluation of near-infrared two-photon absorption response and excited state dynamics of asymmetric aza-BODIPY derivatives.
Doğan A, Yılmaz H, Yıldız EA, Sevinç G, Arı F, Unver H, Boyacioglu B, Hayvali M, Elmali A, Karatay A