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  1. 2461
    “…The structure analysis along with quantum mechanics calculations revealed a crucial impact of the sulfonyl group on the compound geometry. …”
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    The effect of the intramolecular C–H⋯O interactions on the conformational preferences of bis-arylsulfones – 5-HT(6) receptor antagonists and beyond
  2. 2462
    por Ma, Sicong, Liu, Zhi-Pan
    Publicado 2022
    “…This perspective first presents a short retrospect of theoretical investigations on zeolites using the tools from classical force fields to quantum mechanics calculations and to the latest machine learning (ML) potential simulations. …”
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    Machine learning potential era of zeolite simulation
  3. 2463
    “…The parameters were optimized to reproduce the pseudorotation phase angle and relative energies of a diverse set of mono- and difluoro substituted furanose ring systems using quantum mechanics umbrella sampling techniques available in the IpolQ engine in the Amber suite of programs. …”
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    Parameterization and Application of the General Amber Force Field to Model Fluoro Substituted Furanose Moieties and Nucleosides
  4. 2464
    por Fernandez, Oscar E.
    Publicado 2022
    “…We illustrate the theory developed through examples and discuss potential applications to the study of the quantum mechanics of nanovehicles.…”
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    Quantizing Chaplygin Hamiltonizable nonholonomic systems
  5. 2465
    por Singh, Gaurav Pal, Sardana, Neha
    Publicado 2022
    “…The surface plasmon resonance (SPR) is a phenomenon based on the combination of quantum mechanics and electromagnetism, which leads to the creation of charge oscillations on a metal–dielectric interface. …”
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    Smartphone-based Surface Plasmon Resonance Sensors: a Review
  6. 2466
    por Plotnitsky, Arkady
    Publicado 2022
    “…This article reconsiders the double-slit experiment from the nonrealist or, in terms of this article, “reality-without-realism” (RWR) perspective, grounded in the combination of three forms of quantum discontinuity: (1) “Heisenberg discontinuity”, defined by the impossibility of a representation or even conception of how quantum phenomena come about, even though quantum theory (such as quantum mechanics or quantum field theory) predicts the data in question strictly in accord with what is observed in quantum experiments); (2) “Bohr discontinuity”, defined, under the assumption of Heisenberg discontinuity, by the view that quantum phenomena and the data observed therein are described by classical and not quantum theory, even though classical physics cannot predict them; and (3) “Dirac discontinuity” (not considered by Dirac himself, but suggested by his equation), according to which the concept of a quantum object, such as a photon or electron, is an idealization only applicable at the time of observation and not to something that exists independently in nature. …”
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    “Yet Once More”: The Double-Slit Experiment and Quantum Discontinuity
  7. 2467
    por Lu, Yang, Sun, Mingming, Xi, Ning
    Publicado 2022
    “…By varying the structures at the C5- and C7-substituents, we demonstrated that (19)F shifts and Hammett coefficients in Hammett plots follow typical relationships in bonding interactions, while manifesting reverse correlations in nonbonding contacts. Quantum mechanics calculations revealed that one of the ortho-F nuclei engages in n → π* orbital delocalization between F lone pair electrons (n) and a C[double bond, length as m-dash]O/Ar[double bond, length as m-dash]N antibonding orbital (π*), and the other ortho-F nucleus exhibits n ↔ σ orbital polarization between the n electrons and the C–H σ bonding orbital. …”
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    Effects of fluorine bonding and nonbonding interactions on (19)F chemical shifts
  8. 2468
    por Ham, Byoung S.
    Publicado 2022
    “…In sensors, the highest precision in measurements is given by vacuum fluctuations of quantum mechanics, resulting in a shot noise limit. In a Mach–Zenhder interferometer (MZI), the intensity measurement is correlated with the phase, and thus, the precision measurement ([Formula: see text]) is coupled with the phase resolution ([Formula: see text]) by the Heisenberg uncertainty principle. …”
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    A Quantum Ring Laser Gyroscope Based on Coherence de Broglie Waves
  9. 2469
    “…Furthermore, our quantum mechanics/molecular mechanics model predicts the existence of a short-lived “tunnelling-ready” configuration along the wobble reaction pathway in the polymerase active site, dramatically increasing the rate of proton transfer by a hundredfold, demonstrating that quantum tunnelling plays a critical role in determining the transcription error frequency of the polymerase.…”
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    Quantum Tunnelling Effects in the Guanine-Thymine Wobble Misincorporation via Tautomerism
  10. 2470
    “…Computational methods built within the well-established quantum mechanics framework of density functional theory (DFT) play an important role in the search for these advanced materials and the prediction of their properties. …”
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    Prediction of Novel Ultrahard Phases in the B–C–N System from First Principles: Progress and Problems
  11. 2471
    “…The absolute configurations of 1 and 2 were determined by optical rotation, J-based configuration analysis, chemical derivatizations, including the modified Mosher’s method, and quantum-mechanics-based calculation. Biological evaluation of 1 and 2 revealed that succinyl glyco-oxydifficidin (1) inhibited/dissociated amyloid β (Aβ) aggregation, whereas succinyl macrolactin O (2) inhibited Aβ aggregation, indicating their therapeutic potential for disassembling and removing Aβ aggregation.…”
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    Glycosylated and Succinylated Macrocyclic Lactones with Amyloid-β-Aggregation-Regulating Activity from a Marine Bacillus sp.
  12. 2472
    “…In 1928, Dirac published an equation that combined quantum mechanics and special relativity. Negative-energy solutions to this equation, rather than being unphysical as initially thought, represented a class of hitherto unobserved and unimagined particles—antimatter. …”
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    Characterization of the 1S–2S transition in antihydrogen
  13. 2473
    por Baumann, Gerd
    Publicado 2005
    “…The second volume covers electrodynamics, quantum mechanics, relativity, and fractals and fractional calculus. …”
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    Mathematica for Theoretical Physics: Classical Mechanics and Nonlinear Dynamics
  14. 2474
    por Kaiser, Gerald
    Publicado 2009
    “…The positivity of the energy in relativistic quantum mechanics implies that wave functions can be continued analytically to the forward tube T in complex spacetime. …”
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    Quantum physics, relativity, and complex spacetime: towards a new synthesis
  15. 2475
    por Cordes, Heinz Otto
    Publicado 2006
    “…This theory is relativistically covariant, and it may be regarded as a mathematically consistent quantum-mechanical generalization of the classical motion of such a particle, à la Newton and Einstein. …”
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    Precisely predictable Dirac observables
  16. 2476
    por Fujita, Shigeji, Ito, Keiichi R
    Publicado 2007
    “…It is important that the reader have an understanding of dynamics, quantum mechanics, thermodynamics, statistical mechanics, electromagnetism and solid-state physics. …”
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    Quantum Theory of Conducting Matter: Newtonian Equations of Motion for a Bloch Electron
  17. 2477
    “…We interpret these features as an artifact of the supergravity approximation, which fails to encode quantum mechanical fluctuations that should be present even in the strong coupling limit. …”
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    Aspects of the UV/IR correspondence : energy broadening and string fluctuations
  18. 2478
    “…Mass Matrices of Twice Four Families of Quarks and Leptons, ...in the "Spin-charge-family-theory" 10. Bohmian Quantum Mechanics or What Comes Before the Standard Model 11. …”
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    13th Workshop on What Comes Beyond the Standard Models
  19. 2479
    por Economou, Eleftherios N
    Publicado 2010
    “…While prerequisites include quantum mechanics, electromagnetism, and statistical physics, appendices summarizing these subjects are included to make the book more self-contained. …”
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    The Physics of Solids: Essentials and Beyond
  20. 2480
    por Blaha, Stephen
    Publicado 2011
    “…But the instantaneous nature of Quantum Mechanics and the behavior of particles in Black Holes prove faster than light motion occurs in nature. …”
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    From asynchronous logic to the Standard Model to superflight to the stars: Superluminal CP and CPT symmetry, U(4) complex general relativity and the Standard Model
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