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  1. 1401
    “…Having in mind that the information derived from quantum mechanics/molecular mechanics (QM/MM) studies could be an important tool in the design of transition-state (TS) analogue inhibitors, we resorted to adiabatic QM/MM calculations to determine the mechanism of the first step (acylation) of proteolytic cleavage of the S protein with atomistic details. …”
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    Transmembrane Protease Serine 2 Proteolytic Cleavage of the SARS-CoV-2 Spike Protein: A Mechanistic Quantum Mechanics/Molecular Mechanics Study to Inspire the Design of New Drugs To Fight the COVID-19 Pandemic
  2. 1402
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    Computer-aided drug design of Azadirachta indica compounds against nervous necrosis virus by targeting grouper heat shock cognate protein 70 (GHSC70): quantum mechanics calculations and molecular dynamic simulation approaches
  3. 1403
    “…The stereostructural studies began on plakilactone H by applying an integrated approach of the NOE-based protocol and quantum mechanical calculations of (13)C chemical shifts. …”
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    Plakilactones G and H from a marine sponge. Stereochemical determination of highly flexible systems by quantitative NMR-derived interproton distances combined with quantum mechanical calculations of (13)C chemical shifts
  4. 1404
    “…The synthesized compounds 4c, 4e, 4h, 4i, 4j, 4k, 4l, and 4n inhibited biofilm formation and possessed the potential for anti-biofilm activity. DFT-based quantum mechanical calculations were carried out to optimize, predict, and compare the vibration modes of the molecule 4a.…”
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    Synthesis, Antifungal Ergosterol Inhibition, Antibiofilm Activities, and Molecular Docking on β-Tubulin and Sterol 14-Alpha Demethylase along with DFT-Based Quantum Mechanical Calculation of Pyrazole Containing Fused Pyridine–Pyrimidine Derivatives
  5. 1405
    “…Here, we present the X-ray structure of the C-terminal Hg(2+) complex of the C136A/C141A double mutant of the Tn501 MerA catalytic core and explore the molecular mechanism of this Hg transfer with quantum mechanical/molecular mechanical (QM/MM) calculations. …”
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    X-ray Structure of a Hg(2+) Complex of Mercuric Reductase (MerA) and Quantum Mechanical/Molecular Mechanical Study of Hg(2+) Transfer between the C-Terminal and Buried Catalytic Site Cysteine Pairs
  6. 1406
    “…Vibrational assignments of wave numbers with PED (potential energy distribution) was done using VEDA software and the quantum chemical calculations of the molecular geometry were scaled using quantum mechanics. The title molecule showcased excellent results on HOMO - LUMO energies, NMR chemical shifts, 3.73 eV band gap, electronegativity (χ), chemical potential (μ), softness (S), global hardness (η). …”
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    Quantum mechanical, spectroscopic and docking studies of (2E)-1-(4-aminophenyl)-3-(4-benzyloxyphenyl)-prop-2-en-1-one Chalcone derivative by density functional theory – A prospective respiratory drug
  7. 1407
    Publicado 2010
    “…What is quantum mechanics? : a physics adventure. Español…”
    Libro
    ¿Qué es la mecánica cuántica? : una aventura en la física /
  8. 1408
    Tabla de Contenidos:
    Libro
    The Feynman lectures on physics
  9. 1409
    Publicado 1998
    Tabla de Contenidos: “…v. 7. Nihilism to Quantum mechanics --…”
    Libro
    Routledge encyclopedia of philosophy
  10. 1410
    por Rammer, Jorgen
    Publicado 2017
    “…Adopting a uniquely pedagogical approach, this comprehensive textbook on the quantum mechanics of semiconductor materials and devices focuses on the materials, components and devices themselves whilst incorporating a substantial amount of fundamental physics related to condensed matter theory and quantum mechanics. …”
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    Physics of electronic materials: principles and applications
  11. 1411
    por Swendsen, Robert H.
    Publicado 2018
    “…Most proposed resolutions had involved quantum mechanics, although the original puzzles were entirely classical and were posed before quantum mechanics was invented. …”
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    Probability, Entropy, and Gibbs’ Paradox(es)
  12. 1412
    por Greiner, Walter, Müller, Berndt
    Publicado 1989
    “…The text is divided into five volumes: Quantum Mechanics I - An Introduction, Quantum Mechanics II - Symmetries, Relativistic Quantum Mechanics, Quantum Electrodynamics, Gauge Theory of Weak Interactions. …”
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    Theoretical physics: text and exercise books
  13. 1413
    por Haven, Emmanuel, Khrennikov, Andrei
    Publicado 2013
    “…Written by world experts in the foundations of quantum mechanics and its applications to social science, this book shows how elementary quantum mechanical principles can be applied to decision-making paradoxes in psychology and used in modelling information in finance and economics. …”
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    Quantum social science
  14. 1414
    “…This is a book about the Hilbert space formulation of quantum mechanics and its measurement theory. It contains a synopsis of what became of the Mathematical Foundations of Quantum Mechanics since von Neumann’s classic treatise with this title. …”
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    Quantum measurement
  15. 1415
    por Bricmont, Jean
    Publicado 2017
    “…Permeated by the author's delightful humor, this little book explains, with nearly no mathematics, the main conceptual issues associated with quantum mechanics:  The issue of determinism. Does quantum mechanics signify the end of a deterministic word-view?  …”
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    Quantum sense and nonsense
  16. 1416
    por Oriols, Xavier, Mompart, Jordi
    Publicado 2012
    “…Most textbooks explain quantum mechanics as a story where each step follows naturally from the one preceding it. …”
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    Applied Bohmian mechanics: from nanoscale systems to cosmology
  17. 1417
    por Jaroszkiewicz, George
    Publicado 2017
    “…Bridging the gap between non-relativistic quantum mechanics and quantum field theory, this novel approach to quantum mechanics extends the standard formalism to cover the observer and their apparatus. …”
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    Quantized detector networks: the theory of observation
  18. 1418
    “…Quantum mechanics has shown unprecedented success as a physical theory, but it has forced a new view on the description of physical reality. …”
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    ​684. WE-Heraeus-Seminar
  19. 1419
    por von Baeyer, Hans Christian
    Publicado 2016
    “…The deeper meaning of quantum mechanics remains controversial almost a century after its invention. …”
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    QBism: the future of quantum physics
  20. 1420
    por House, J E
    Publicado 2004
    “…An introduction to the principles of quantum mechanics needed in physical chemistry. Mathematical tools are presented and developed as needed and only basic calculus, chemistry, and physics is assumed. …”
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    Fundamentals of quantum chemistry
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