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 2257-2268 of 3,656
Unlocking collagen-derived novel antioxidant peptides from by-product bones of silver carp: label-free peptidomic discovery, bioinformatics-aided mechanistic elucidation, and cytoprotective effects against oxidative damage.
Zhang J, Lin F, Mei Y, Xie R, Chen J, Hu J, Du H, Hao G, Li S, Chen W
Unlocking multimodal activity in metal-free doped carbon dots: A robust nanozyme for colorimetric Kaempferol detection.
Lu W, Jia L, Huang J, Gao T, Du F, Dong C, Shuang S
Unperturbed hydration structure involves ADP recognition in the N-terminal domain of human heat shock protein 90α.
Hirano Y, Kusaka K, Ose T, Kurihara K, Aburai K, Saito JI, Tamada T
Unphysical Structure Collapse in Quantum Mechanics Calculations With Continuum Solvation.
Göller AH, Tshitenge DT
Unraveling Charge and Energy Transfer in a Singlet Fission Donor-Acceptor Complex: An Ab Initio Quantum Dynamical Study.
Thalmann KS, Coto PB, Thoss M
Unraveling Dynamic Trap-State Modulation in Single Core-Crown CdSe/CdS Nanoplatelets.
Baillard G, Wagnon B, Daney de Marcillac W, Abécassis B, Mahler B, Coolen L
Unraveling molecular flexibility in prebiotic chemistry: Tiopronin under the lens of rotational spectroscopy and quantum chemistry.
Uribe L, Mato S, Crisci L, Municio S, Alonso ER, Alonso JL, León I, Barone V
Unraveling On-Resonance Amplification and Reversion of Molecular Optical Chirality Mediated by Plexcitons in Single Nanocavities.
Li D, Li H, Zhang H, Wang L, Wang J, Ni W
Unraveling structure-Toxicity relationships of PFAS: Insights from quantum chemical descriptors and QSAR models.
Cheng Z, Zhou J, Peng X, Xue D, Shen Z, Chen Q, Hu X
Unraveling the Catalytic Promiscuity Mechanism of Triterpene Synthase AaOSC-22030 via Multiscale QM/MM Simulations and Mutagenesis.
Liu C, Liang S, Jiao J, Li B, Jian Y, Chen Y, Wang F, Liang J, Duan L, Zhang F
Unraveling the Charge Rearrangement-Driven Synergistic Mechanism in SiO(2)@Ni-Co/CNTs: The Regulatory Role of Ni-Doping in the Bimetallic Shell.
Chen Q, Li M, Yang Z, Liu Z, Nie Z, Yao C, Ouyang B, Zhao Z, Xu S, Fan B, Li X
Unraveling the Hidden Balance between Quantum Confinement and Structural Modifications in Near-Infrared Fluorescent Carbon Dots.
Madni M, Ullah Z, Jiang H, Roy J, Yan Y, Chen D, Jin Z, Wu X, Lan Y, Wang S, Roy S, Guo B