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  1. 3781
    “…The measured energy dependence of fringe contrast in the range of 8 to 16 keV proves the quantum-mechanical origin of the periodic pattern and excludes classical projective effects, providing the first observation to date of antimatter wave interference. …”
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    First demonstration of antimatter wave interferometry
  2. 3782
    por Rourk, Christopher J.
    Publicado 2019
    “…This data article provides the c-AFM measurement data as reported and discussed in “Indication of quantum mechanical electron transport in human substantia nigra tissue from conductive atomic force microscopy analysis.” [1].…”
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    Conductive atomic force microscopy data from substantia nigra tissue
  3. 3783
    “…Further, using a three-dimensional envelope-function model, we evaluated the quantum mechanical correction in the QD band structures depending on their geometrical shape asymmetries and, more interestingly, on the practical degree of Al interdiffusion. …”
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    Strain-induced control of a pillar cavity-GaAs single quantum dot photon source
  4. 3784
    “…In this work, we present evidence for the significant role of the active site's residues in CotB2 on the reaction energetics using quantum mechanical calculations in an active site cluster model. …”
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    Understanding the role of active site residues in CotB2 catalysis using a cluster model
  5. 3785
    por Sandström, H., Rahm, M.
    Publicado 2020
    “…We here take the next step and evaluate the thermodynamic viability of azotosome formation. Quantum mechanical calculations predict that azotosomes are not viable candidates for self-assembly akin to lipid bilayers in liquid water. …”
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    Can polarity-inverted membranes self-assemble on Titan?
  6. 3786
    “…Giant dielectric constant values (∼10(10)) obtained from these systems were quantitatively explained as a function of the length of the nanowires on the basis of quantum mechanical theory derived by Rice and Bernasconi. …”
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    Giant Dielectric Constant of Copper Nanowires/Amorphous SiO(2) Composite Thin Films for Supercapacitor Application
  7. 3787
    “…This result is compared to state-of-the-art relativistic quantum mechanical calculations that incorporate both the Breit and the quantum electrodynamics (QED) corrections and the electron–electron correlation effects on the highest level that can be currently achieved for many-electron systems. …”
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    The electron affinity of astatine
  8. 3788
    “…Here, we report on ultracold collision dynamics of the hydroxyl free-radical OH with Sr atoms leading to quenching of OH hyperfine states. Our quantum-mechanical calculations of this process reveal that quenching is efficient due to anomalous molecular dynamics in the vicinity of the conical intersection at collinear geometry. …”
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    Effects of conical intersections on hyperfine quenching of hydroxyl OH in collision with an ultracold Sr atom
  9. 3789
    por Iotti, Rita Claudia, Rossi, Fausto
    Publicado 2018
    “…The primary goal of this article is to investigate a recently proposed quantum-mechanical (nonlocal) generalization (Phys. Rev. …”
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    Microscopic Theory of Energy Dissipation and Decoherence in Solid-State Quantum Devices: Need for Nonlocal Scattering Models
  10. 3790
    “…The origin of this effect is a sizable quantum mechanical phase shift that the electron de Broglie wave obtains from the oscillating electromagnetic potentials within less than 1 fs. …”
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    Ultrafast electron diffraction from nanophotonic waveforms via dynamical Aharonov-Bohm phases
  11. 3791
    “…This framework not only allows for finding new estimation inequalities, but it also provides a convenient technical framework for the derivation of a one-parameter family of Rényi-entropy-power-based quantum-mechanical uncertainty relations. To illustrate the usefulness of the Rényi entropy power obtained, we show how the information probability distribution associated with a quantum state can be reconstructed in a process that is akin to quantum-state tomography. …”
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    From Rényi Entropy Power to Information Scan of Quantum States
  12. 3792
    “…[Image: see text] The Kane–Maguire polymerization mechanism is disassembled at a molecular level by using DFT-based quantum mechanical calculations. Resorcinol electropolymerization is selected as a case study. …”
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    The Fundamental and Underrated Role of the Base Electrolyte in the Polymerization Mechanism. The Resorcinol Case Study
  13. 3793
    por Yang, Ciann-Dong, Han, Shiang-Yi
    Publicado 2021
    “…Ammonia is a well-known example of a two-state system and must be described in quantum-mechanical terms. In this article, we will explain the tunneling phenomenon that occurs in ammonia molecules from the perspective of trajectory-based quantum dynamics, rather than the usual quantum probability perspective. …”
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    Tunneling Quantum Dynamics in Ammonia
  14. 3794
    “…The complex mechanism of light-gated breathing is established by a series of in situ diffraction and spectroscopic experiments, supported by quantum mechanical and molecular dynamic simulations. Unexpectedly, this study identifies a novel light-induced deformation mechanism of constrained azobenzene photoswitches relevant to the future design of light-responsive materials.…”
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    Cooperative light-induced breathing of soft porous crystals via azobenzene buckling
  15. 3795
    “…The trajectories satisfy quantum-mechanical continuity and the relativistic velocity addition rule. …”
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    Relativistic Bohmian trajectories of photons via weak measurements
  16. 3796
    “…Despite their labile nature, the structures could be established using a combination of spectroscopic data, including HRESIMS and 1D/2D NMR techniques, as well as computational chemistry and quantum-mechanical calculations. In a broad screening approach for biological activity, the class-defining compound ircinianin (1) showed moderate antiprotozoal activity against Plasmodium falciparum (IC(50) 25.4 μM) and Leishmania donovani (IC(50) 16.6 μM).…”
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    Discovery of Ircinianin Lactones B and C—Two New Cyclic Sesterterpenes from the Marine Sponge Ircinia wistarii
  17. 3797
    “…On this basis we present a new measurement method for the superposition state of a qubit due to its influence on transition probabilities between oscillator levels located in the energy region near the classical separatrix. The quantum-mechanical behavior of a bifurcation oscillator is also studied, which makes it possible to understand the mechanism of "entanglement" of oscillator and qubit states during the measurement process. …”
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    Bifurcation Oscillator as an Advanced Sensor for Quantum State Control
  18. 3798
    “…In this work, the role of Fe in the crystallographic properties of LDHs M(2+):M(3+) 2:1 with Mg:(Fe,Al), Mg:Fe, Zn:(Fe,Al), and Zn:Fe is investigated by means of quantum mechanical calculations based on the density functional theory (DFT). …”
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    Effect of Iron Isomorphic Substitution in Mg:Al and Zn:Al-Layered Double-Hydroxide Structures by Means of First Principle Calculations
  19. 3799
    “…In the second, all properties are evaluated integrally with hybrid quantum mechanical/molecular mechanics (QM/MM) calculations. …”
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    Computation of Förster Resonance Energy Transfer in Lipid Bilayer Membranes
  20. 3800
    por Sladek, Vladimir, Fedorov, Dmitri G.
    Publicado 2022
    “…Quantum mechanical (QM) calculations at the level of density-functional tight-binding are applied to a protein–DNA complex (PDB: 2o8b) consisting of 3763 atoms, averaging 100 snapshots from molecular dynamics simulations. …”
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    The Importance of Charge Transfer and Solvent Screening in the Interactions of Backbones and Functional Groups in Amino Acid Residues and Nucleotides
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