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 1045-1056 of 3,656
Identifiability limits and deep-learning-assisted reconstruction of rotational density matrices for symmetric-top molecules.
Dong B, Zhang M, Zhuang Y, Zhang S, Liu D, Xu M, Li S, Ischenko AA, Xu H, Miller RJD, Li Z
Identification of a shared antigen linking CD4(+) T and B cell pathology in Sjögren's disease.
Takeshita M, Inamo J, Wakui S, Nagashima R, Nishino T, Tsunoda K, Usuda S, Inokuchi H, Ishigaki K, Sasaki T, Kagoya Y, Suzuki K, Kaneko Y
Identification of paucinervin D as a natural sphingosine-1-phosphate receptor 1 agonist: Insights from pharmacophore modeling, docking, molecular dynamics simulations, and density functional theory.
Qian S, Ding Y, Chen L, Li E, Wang T, Yang T
Identification of Tetrahydrocannabinol (THC) Analogs, Including Methyl Ether Derivatives of THC and Hexahydrocannabiphorol, THC Methyl Carbonate and Its Synthetic by-Product, in Commercially Available Oil Products.
Tanaka R, Ito M, Kikura-Hanajiri R
Identification of xenobiotics interfering with 5α-reductase (SRD5A2) activity.
Kędzierski J, van Diest RE, Allard JA, Erharter AM, Odermatt A, Smieško M
Image-Guided Dual Magnetic-Photothermal Hyperthermia Using a Multifunctional Fe(3)O(4)-PANI-GQD Biomaterial Platform.
Dar MS, Sahu NK
Immobilized Uranyl Site on Carbon Nitride with Orbital Hybridization for Promoted Charge-Carrier Separation in Photocatalysis.
Shen Z, Hu Y, Ning S, Liu Y, Zhang H, Ai Y, Zhao G, Wang X, Muhler M, Meng X, Ye J
Immune imbalance between T helper 1, T helper 17 and regulatory T cells fuels amyotrophic lateral sclerosis pathogenesis: disease trajectory, diagnosis and therapeutic implications.
Sligar C, Sluyter R, Ooi L
Impact of Donor and Acceptor Fluorination on Energy Landscape of Organic Bulk Heterojunction Solar Cells.
Alam S, Khan JI, Nádaždy V, Sokeng AD, Islam MM, Ahner J, Friebe C, Althobaiti W, Liu W, Saladina M, Hager M, Schubert US, Andrienko D, Deibel C, Laquai F, Hoppe H
Impact of Initial Electron Localization on Electron Solvation Dynamics in Liquid Water.
Okpara N, Goullieux M, Inhester L, Santra R
Impact of Isolation Techniques on the Content of Small Extracellular Vesicles.
Su Y, Visan KS, Voss S, Prieto-Vila M, Matsuzaki J, Chan JYK, Yam JWP, Möller A
Impact of solvation on the photoisomerization mechanism of oxindole switches with electron-donating substituents.
Huix-Rotllant M, Qadeer A, Roca-Sanjuán D, Segarra-Martí J, Choi CH