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  1. 3561
    “…The particle in a box (PIB), for example, is widely used in undergraduate programs to teach the quantum mechanical principles behind the UV–vis spectra of conjugated polyenes and polyynes. …”
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    Particle on a Ring Model for Teaching the Origin of the Aromatic Stabilization Energy and the Hückel and Baird Rules
  2. 3562
    “…First-principles MD simulations refer to methods where the dynamics of the nuclei is followed in time by integrating the Newtonian equations of motion on a potential energy surface that is determined by solving the quantum-mechanical many-body problem for the electrons. …”
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    Operando Modeling of Zeolite-Catalyzed Reactions Using First-Principles Molecular Dynamics Simulations
  3. 3563
    por Gonzalez-Garcia, Concepcion
    Publicado 2013
    “…All this thanks to the quantum-mechanical phenomenon of flavour oscillations which is intrinsically connected to the question of neutrino mass and which has been observed in neutrinos produced in natural sources, like the Sun and the Earth's atmosphere, as well as with human made neutrino beams at accelerator and reactors. …”
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    Neutrinos (1/3)
  4. 3564
    por Caldeira, Amir O
    Publicado 2014
    “…Dissipation naturally plays an important role in these phenomena, and therefore semi-empirical models for quantum dissipation are introduced and applied to the study of a few important quantum mechanical effects. The book also discusses the relevance of macroscopic quantum phenomena to the control of meso- or nanoscopic devices, particularly those with potential applications in quantum computation or quantum information. …”
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    An introduction to macroscopic quantum phenomena and quantum dissipation
  5. 3565
    por Calmet, Xavier
    Publicado 2015
    “…Beginning with an overview of the theory of black holes by the editor, this book presents a collection of ten chapters by leading physicists dealing with the variety of quantum mechanical and quantum gravitational effects pertinent to black holes. …”
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    Quantum aspects of black holes
  6. 3566
    por Uraltsev, N
    Publicado 1996
    “…The constituent picture of hadrons implies certain quantum mechanical inequalities which must hold in the potential models. …”
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    On the problem of boosting non-leptonic b baryon decays
  7. 3567
    “…We investigate the possibility of interference effects induced by macroscopic quantum-mechanical superpositions of almost othogonal coherent states - a Schroedinger cats state - in a resonant microcavity. …”
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    Macroscopic Interference Effects in Resonant Cavities
  8. 3568
    por Kovachev, V
    Publicado 2002
    “…Experimental results below 2 K are interpreted by possible self-sustained pumping based on quantum- mechanical fountain effect in superfluid /sup 4/He. (25 refs).…”
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    On some problems of large superconducting magnets
  9. 3569
    “…In this study, the computational efficiency of the REG-IQA method for the 133-atom HIV-1 protease quantum mechanical system is analyzed in every detail and substantially improved by means of three different approaches. …”
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    How to Compute Atomistic Insight in DFT Clusters: The REG-IQA Approach
  10. 3570
    “…Here, we used site-directed mutagenesis and quantum mechanical calculations to analyze the contribution of protonable side chains located at the heme b(L) side of the QH(2) oxidation site in Rhodobacter capsulatus cytochrome bc(1). …”
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    Identification of hydrogen bonding network for proton transfer at the quinol oxidation site of Rhodobacter capsulatus cytochrome bc(1)
  11. 3571
    “…Single-step, coherent quantum-mechanical tunneling proposed for ETp across small protein, 2–3 nm wide junctions, but it is problematic for larger proteins. …”
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    Near-Temperature-Independent Electron Transport Well beyond Expected Quantum Tunneling Range via Bacteriorhodopsin Multilayers
  12. 3572
    “…Stoichoimetric graphene fluoride monolayers are obtained in a single step by the liquid-phase exfoliation of graphite fluoride with sulfolane. Comparative quantum-mechanical calculations reveal that graphene fluoride is the most thermodynamically stable of five studied hypothetical graphene derivatives; graphane, graphene fluoride, bromide, chloride, and iodide. …”
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    Graphene Fluoride: A Stable Stoichiometric Graphene Derivative and its Chemical Conversion to Graphene
  13. 3573
    por Vogel, P., Wen, L.J., Zhang, C.
    Publicado 2015
    “…Reactors have played a major role in the study of neutrino oscillations, a phenomenon that indicates that neutrinos have mass and that neutrino flavours are quantum mechanical mixtures. Over the past several decades, reactors were used in the discovery of neutrinos, were crucial in solving the solar neutrino puzzle, and allowed the determination of the smallest mixing angle θ(13). …”
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    Neutrino oscillation studies with reactors
  14. 3574
    “…Finally, a mechanistic rationale supported by quantum mechanical calculations for the highly (S)‐selective addition of cyanide is proposed. …”
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    Exploring the Catalytic Promiscuity of Phenolic Acid Decarboxylases: Asymmetric, 1,6‐Conjugate Addition of Nucleophiles Across 4‐Hydroxystyrene
  15. 3575
    por Szafraniec, Anna, Iwanek, Waldemar
    Publicado 2020
    “…Spectroscopic analysis and quantum mechanical calculations showed that this molecule undertakes a crown-in conformation in chloroform. …”
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    Intramolecular Hydrogen Bond Driven Conformational Selectivity of Coumarin Derivatives of Resorcin[4]arene
  16. 3576
    “…Consequently, numerous and sophisticated experimental systems have been developed to extract precise information, which is usually interpreted in the light of quantum mechanical calculations. However, even with the most sophisticated experiments, it is sometimes difficult to interpret the experimental results. …”
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    Revisiting the Spectroscopy of Water Dimer in Jets
  17. 3577
    por Sheng, P
    Publicado 2006
    “…A special feature of this volume is the treatment of classical and quantum mechanical waves within a unified framework, thus facilitating an understanding of similarities and differences between the two.…”
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    Introduction to Wave Scattering, Localization and Mesoscopic Phenomena
  18. 3578
    “…The fundamental quantum-mechanical and relativity principles of particle interaction are considered as basis of friction micro-process examination. …”
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    Micromechanisms of friction and wear: introduction to relativistic tribology
  19. 3579
    “…The book covers a number of topics, including the thermodynamics of magnetic and electric systems; the quantum-mechanical basis of magnetism; ferrimagnetism, antiferromagnetism, spin waves and magnons; liquid crystals as a non-ideal system of technological relevance; and diffusion in an external potential. …”
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    Introduction to statistical physics: and to computer simulations
  20. 3580
    “…This brief describes the quantum-mechanical treatment of the response to one or more external oscillating electric fields for molecular and macroscopic, crystalline systems. …”
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    Calculations on nonlinear optical properties for large systems: the elongation method
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