Quantum Chemistry
8,744 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 2857-2868 of 8,744
Universality of Quantum Gates in Particle and Symmetry Constrained Subspaces
Andreas Stergiou, Nicolas PD Sawaya
Unleashing light: a deep dive into quantum cascade laser dynamics through power, precision, and performance
Xiaohan Yu, Yanbo Bai, Feihu Wang, Steve Slivken, Nirajman Shrestha, Ruiming Zhang, Manijeh Razeghi
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 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 phototransformation of 2,4,6-tribromophenol: Aqueous mechanisms involving ·OH and the emergence of hydroxylated PBDEs.
Ma J, Zeshan M, Cao R, Xie HB, Geng N, Zhang H, Gao Y, Wu L, Chen J