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Teoría cuántica
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3401“…Accordingly, a growing number of quantum mechanical investigations aimed at near-infrared region has been witnessed. …”
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3402“…Despite significant progress made in the past decades, it remains extremely challenging to investigate the dissociative chemisorption dynamics of molecular species on surfaces at a full-dimensional quantum mechanical level, in particular for polyatomic-surface reactions. …”
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3403“…This perspective is achieved by extensive mixed quantum mechanical/molecular dynamics simulations of the half reaction of reduction of cytochrome c. …”
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3404por Ha, My Kieu, Trinh, Tung Xuan, Choi, Jang Sik, Maulina, Desy, Byun, Hyung Gi, Yoon, Tae Hyun“…Here, we performed a meta-analysis of 216 published articles on oxide nanoparticles using 14 attributes of physicochemical, toxicological and quantum-mechanical properties. Particularly, to improve completeness and quality of the extracted dataset, we adapted two preprocessing approaches: data gap-filling and physicochemical property based scoring. …”
Publicado 2018
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3405“…Interestingly, this apparently abstract question arises naturally in a wide range of areas such as information theory, thermodynamics, quantum reference frames, and the resource theory of asymmetry. Here we use a quantum-mechanical generalization of majorization to develop a framework for answering this question, in terms of single-shot entropies, or equivalently, in terms of semi-definite programs. …”
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3406“…In this paper the quantum mechanical counterpart of the classical affinity is found. …”
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3407“…For example, the general tendency is, that for the fixed number and the increasing mass of the species, vacua must become more curved and more unstable, either classically or quantum mechanically. We also discuss the constraints on the lifetime of vacua in the landscape, due to decay into the neighboring states.…”
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3408por Belkic, Dzevad“…For these collisions, the literature has seen enormous renewal of activity in the development and applications of quantum-mechanical theories. This subject is of relevance in several branches of science and technology, like accelerator-based physics, the search for new sources of energy and high temperature fusion of light ions. …”
Publicado 2013
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3409“…This book introduces a quantum-mechanical description of the nuclear fission process from an initial compound state to scission. …”
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3410“…But one needs to treat the deflection function (scattering angles) quantum mechanically in the Wave Mechanical picture for the appropriate description of the heavy-ion nucleus scattering phenomena. …”
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3411“…Continuing our previous analysis of a supersymmetric quantum-mechanical matrix model, we study in detail the properties of its sectors with fermion number F=2 and 3. …”
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3412“…We explore the role of H-bonding with fully quantum mechanical explicitly solvated NAMD simulations for the decarbonylation reaction. …”
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3413por Zhang, Yonghe“…Ionocovalency (IC), a quantitative dual nature of the atom, is defined and correlated with quantum-mechanical potential to describe quantitatively the dual properties of the bond. …”
Publicado 2010
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3414“…[Image: see text] We parametrize a linear-scaling quantum mechanical force field called mDC for the accurate reproduction of nonbonded interactions. …”
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3415por Vázquez-Montelongo, Erik Antonio, Vázquez-Cervantes, José Enrique, Cisneros, G. Andrés“…Classical molecular dynamics and hybrid quantum mechanical/molecular mechanical (QM/MM) calculations of IL systems have provided significant insights at the atomic level. …”
Publicado 2020
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3416por Mofrad, Mohammad“…It includes unique chapters on ab initio quantum mechanical, molecular dynamic and scale coupling methods.. …”
Publicado 2010
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3417por Heisenberg, Werner“…He writes about the postulate character of his quantum mechanical assumption and its similarity with the assumption of the constancy of light velocity.…”
Publicado 2001
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3418por Gatti, Fabien“…Emphasizing fundamental educational concepts, this book offers an accessible introduction that covers eigenstates, wave packets, quantum mechanical resonances and more. Examples show that high-level experiments and theory must work closely together.…”
Publicado 2014
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3419por Durrant, Marcus C.“…[Image: see text] The Lewis and quantum mechanical theories of chemical bonding are compared and contrasted, with a view to clarifying the relationship between Harcourt’s ‘increased valence’ quantum approach and the recently proposed quantitative definition of hypervalency.…”
Publicado 2016
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3420“…It is known (yet often ignored) from quantum mechanical or energetic considerations, that the threshold gain of the quasi‐static spaser depends only on the dielectric functions of the metal and the gain material. …”
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