Mostrando 1,121 - 1,140 Resultados de 4,830 Para Buscar '"quantum mechanics"', tiempo de consulta: 0.19s Limitar resultados
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    “…We approach this challenge by combining the two main contributors to plasmon-enhanced Raman spectroscopy and to the high resolution in TERS, in particular, the electromagnetic and the chemical effect, into one quantum mechanical simulation. The electromagnetic effect describes the sample’s interaction with the strong, highly localized, and inhomogeneous electric fields associated with the plasmonic tip and is typically the thematic focus for most mechanistic studies. …”
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    “…An efficient computational approach for modeling protein electrostatic is developed according to static point-charge model distributions based on the linear-scaling EE-GMFCC (electrostatically embedded generalized molecular fractionation with conjugate caps) quantum mechanical (QM) method. In this approach, the Electrostatic-Potential atomic charges are obtained from ab initio calculation of protein, both polarization and charge transfer effect are taken into consideration. …”
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  9. 1129
    “…The present article aims at reviewing recent in silico works, mainly focusing on prebiotic processes occurring on the mineral surfaces of clays, iron sulfides, titanium dioxide, and silica and silicates simulated through quantum mechanical methods based on the density functional theory (DFT). …”
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    por Shen, Chenfei, Wang, Xianwei, He, Xiao
    Publicado 2021
    “…In this study, an accurate and efficient fragmentation quantum mechanical (QM) approach of the electrostatically embedded generalized molecular fractionation with conjugate caps (EE-GMFCC) scheme was applied for calculations of excited-state properties of the RNA aptamer–fluorophore complex. …”
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  14. 1134
    por Curceanu, C, Marton, J, Milotti, E
    Publicado 2011
    “…Mini-Proceedings ECT*: Speakable in quantum mechanics: atomic, nuclear and subnuclear physics tests, ECT*-Trento, 29 August - 2 September, 2011…”
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  15. 1135
    por Nottale, Laurent
    Publicado 2011
    “…It suggests an original solution to the disunified nature of the classical-quantum transition in physical systems, enabling the basis of quantum mechanics on the principle of relativity, provided this principle is extended to scale transformations of the reference system. …”
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    por Moretti, Valter
    Publicado 2017
    “…Further, this Second Edition collects in one volume a number of useful rigorous results on the mathematical structure of quantum mechanics focusing in particular on von Neumann algebras, Superselection rules, the various notions of Quantum Symmetry and Symmetry Groups, and including a number of fundamental results on the algebraic formulation of quantum theories. …”
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