First principles
Two-dimensional materials: electronic and structural properties of defective graphene and boron nitride from first principles
... use first principles calculations based on the formalism of Density Functional Theory (DFT) to investigate electronic and structural properties of graphene and boron nitride two-dimensional ...the ...
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First-principles modeling of geomagnetically induced electromagnetic fields and currents from upstream solar wind to the surface of the Earth
... The work presented here comprises Phase 1 of the project dedicated to test the present capabilities of first-principles modeling of space weather from the ground and especially from the GIC viewpoint. More ...
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Thermodynamic description of the Al-Cu-Yb ternary system supported by first-principles calculations
... from first- principles calculations ...and first- principles calculations of the two end members of τ 1 - (Al,Cu) 12 Yb and τ 2 -(Al,Cu) 17 Yb 2 (Al 12 Yb and Cu 12 Yb with Mn 12 Th structure, ...
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Emergent properties from first principles: d0 magnetism and metal-insulator transitions
... of first-principles calculations, recent theoretical works have shown the possi- bility of tuning the electronic properties of topological insulators through the control of stacking faults [140, ...
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DAMASCIUS AND THE PRACTICE OF THE PHILOSOPHICAL LIFE: ON THE IMPOSSIBILITY OF COMMUNICATION ABOUT AND COMMUNION WITH THE FIRST PRINCIPLES
... counts of Plato’s late period in philosophy according to which that could be the One. Aristo- tle’s account of the lectures On the Good mentions that Plato in his late years taught the One to be good. There is another ...
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Aristotle on Dialectic and First Principles
... common principles it shares with other sci- ences, or with a wide group of other sciences (τὰ κοινά, τὰ ἀξιώµατα), certain principles that are proper to it (τὰ ἴδια) ...proper principles of ...
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FIRST PRINCIPLES FOR REGULATING THE SHARING ECONOMY
... Enforcement. Enforcement of TSR compliance could take several ap- proaches. First, the city could use its traditional nuisance abatement power to respond to citizen complaints of non-TSR-enabled short-term ...
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Isotope effects in N<sub>2</sub>O photolysis from first principles
... propagation are compared to the most abundant isotopologue ( 14 N 16 2 O). The fractionation constants as a function of wave- length and temperature are in excellent agreement with ex- perimental data. The study shows ...
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Properties of coupled semiconductor quantum dot systems and their optical response
... The exchange interaction coupling was also investigated at atomistic scales using first principles calculations within the density functional theory framework, wherein a manganese (Mn) a[r] ...
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Braz. J. Phys. vol.39 número1A
... through first-principles calculations based on the density functional theory, the charge distri- bution, the density of states and the tip rearrangement of two mirrored boron nitride nanocones with 240 ˚ A ...
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Braz. J. Chem. Eng. vol.19 número3
... In this section, a noniterative algorithm for the estimation of Hammerstein models, which is based only on least square estimation, and singular value decomposition, is presented. The algorithm is then used to estimate a ...
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Weinberg Angle Derivation from Discrete Subgroups of SU(2) and All That
... only first principles derivation of the Wein- berg angle as a further application of the discrete symme- try subgroups of SU(2) that I used for the first principles derivation of the mixing ...
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Braz. J. Chem. Eng. vol.27 número1
... (first principles model) because such models can explain the functional (causal) relations between physical variables and this is desired to understand the bioprocess ...
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Rev. Bras. . vol.71 número5 en a08v71n5
... ethical principles, Brazilian web sites information about “allergic ...Ethical Principles, Regional Council of Medicine of the state of Sao Paulo (CREMESP), regarding transparency, honesty, quality, ...
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PROJECT’S ASSESSMENT PRINCIPLES AND STRATEGIES
... In investment project evaluation, the following project characteristics should be considered: Size, maturity, industry, type of project and life cycle. There are also several constraints that influence the project, such ...
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CCN activation and cloud processing in sectional aerosol models with low size resolution
... On the other hand, the results for approaches 3, 4 and 5 – all of which assume a continuous distribution profile within the critical size section – are very similar (Fig. 3, right panel). Only approach 5, which ...
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The views of secondary school and pre-service mathematics teachers about the seven principles for good practice in education [İlköğretim matematik öğretmenleri ve öğretmen adaylarının iyi bir eğitim ortamı için yedi ilke hakkındaki görüşleri]
... seven principles increase teaching effectiveness socially, psychologically, and academically by initiating in students a desire to learn, to study cooperatively, and to improve their attitudes toward lessons ...
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Psic.: Teor. e Pesq. vol.19 número3
... All the above suggests that the HR issue is indeed a highly normative one. Individual stances are embedded in value choices and orient our judgements about social reality also in the realm of international relations. In ...
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ORGANIZING PRINCIPLES, HABITUS AND FAMILY PRACTICES
... respondents. First, respondents were asked to indicate in percentage their own participation and the participation of their spouses in eight domestic tasks, eight parental tasks, and eight maintenance tasks, ...
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