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Current Perspectives in Social Theory
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Democratic Theory-An Interdisciplinary Journal
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BIOINFO Optimization Theory and Applications
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THE JOURNAL OF THE SOCIOLOGY AND THEORY OF RELIGION
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Theory of Probability and Mathematical Statistics
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Journal of Economic Theory and Econometrics
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International Journal of Economic Theory
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European Journal of Political Theory
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IET Control Theory and Applications
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IEEE TRANSACTIONS ON INFORMATION THEORY
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Political Power and Social Theory
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INTEGRAL EQUATIONS AND OPERATOR THEORY
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Random Matrices-Theory and Applications
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INTERNATIONAL JOURNAL OF GAME THEORY
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Nonlinear Dynamics and Systems Theory
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Modern Stochastics-Theory and Applications
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Minimax Theory and its Applications
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Statistical Theory and Related Fields
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Journal of Dramatic Theory and Criticism
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Journal of Chemical Theory and Computation
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Journal of Public Economic Theory
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Current Issues in Linguistic Theory
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Natural Language & Linguistic Theory
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Romance Languages and Linguistic Theory
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International Journal of Number Theory
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JOURNAL OF OPTIMIZATION THEORY AND APPLICATIONS
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Journal for the Theory of Social Behaviour
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PROBABILITY THEORY AND RELATED FIELDS
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Citizen Science: Theory and Practice
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Theory and Practice of Meat Processing
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JOURNAL OF ARCHAEOLOGICAL METHOD AND THEORY
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JOURNAL OF COMBINATORIAL THEORY SERIES A
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Short Fiction in Theory and Practice
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Drawing: Research, Theory, Practice
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TRANSPORT THEORY AND STATISTICAL PHYSICS
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THEORY AND PRACTICE OF LOGIC PROGRAMMING
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THEORY OF PROBABILITY AND ITS APPLICATIONS
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SIMULATION MODELLING PRACTICE AND THEORY
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Book Review: Vishwas Satgar (ed.), The Solidarity Economy Alternative: Emerging Theory and PracticeSatgarVishwas (ed.), The Solidarity Economy Alternative: Emerging Theory and Practice, University of KwaZulu-Natal Press: Durban, 2014; 332 pp.: ISBN 9781869142575, US$34.44
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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublikacjaIn drug optimization calculations, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature....
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Analytical Buckling of FG Nanobeams on The Basis of A New One Variable First-Order Shear Deformation Beam Theory
PublikacjaIn this work, buckling analysis of functionally graded (FG) nanobeams based on a new refined beam theory has been analyzed. The beam is modeled as an elastic beam subjected to unidirectional compressive loads. To achieve this aim, the new obtained beam theory has only one variable which leads to one equation similar to the Euler beam theory and also is free of any shear correction factor. The equilibrium equation has been...
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Density Functional Theory Studies on Ir Spectra of the Triphenylene Derivatives. A Scaled Quantum Mechanical Force Field Approach
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Analytical Buckling of FG Nanobeams on The Basis of A New One Variable First-Order Shear Deformation Beam Theory
PublikacjaIn this work, buckling analysis of functionally graded (FG) nanobeams based on a new refined beam theory has been analyzed. The beam is modeled as an elastic beam subjected to unidirectional compressive loads. To achieve this aim, the new obtained beam theory has only one variable which lead to one equation similar to Euler beam theory and also is free of any shear correction factor. The...
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Systems of General Grants for Local Governments in Selected EU Countries Against the Background of the General Theory of Fiscal Policy
PublikacjaFiscal policy, including its expenditure aspect, is often discussed and analysed from a variety of angles in the literature on public finances, undoubtedly due to the major importance of this topic. However, not all areas of the expenditure part of fiscal policy have been subjected to in-depth analysis. One of the less discussed tools of fiscal policy consists of general purpose transfers, which are a certain type of expenditure...
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Electrostatic interactions in finite systems treated with periodic boundary conditions: Application to linear-scaling density functional theory
PublikacjaWe present a comparison of methods for treating the electrostatic interactions of finite, isolated systems within periodic boundary conditions (PBCs), within density functional theory (DFT), with particular emphasis on linear-scaling (LS) DFT. Often, PBCs are not physically realistic but are an unavoidable consequence of the choice of basis set and the efficacy of using Fourier transforms to compute the Hartree potential. In such...
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Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory
PublikacjaIterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using...
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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublikacjaWe present a method for computing excitation energies for molecules in solvent, based on the combination of a minimal parameter implicit solvent model and the equation-of-motion coupled-cluster singles and doubles method (EOM-CCSD). In this method, the solvent medium is represented by a smoothly varying dielectric function, constructed directly from the quantum mechanical electronic density using only two tunable parameters. The...
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Nonlocal three-dimensional theory of elasticity for buckling behavior of functionally graded porous nanoplates using volume integrals
PublikacjaIn this paper, the buckling of rectangular functionally graded (FG) porous nanoplates based on threedimensional elasticity is investigated. Since, similar researches have been done in two-dimensional analyses in which only large deflections with constant thickness were studied by using various plate theories; therefore, discussion of large deformations and change in thickness of plates after deflection in this study is examined....
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Dynamic modeling of non-cylindrical curved viscoelastic single-walled carbon nanotubes based on the second gradient theory
PublikacjaThis paper is devoted to the theoretical study of the dynamic response of non-cylindrical curved viscoelastic single-walled carbon nanotubes (SWCNTs). The curved nanotubes are largely used in many engineering applications, but it is challenging in understanding mechanically the dynamic response of these curved SWCNTs when considering the influences of the material viscosity. The viscoelastic damping effect on the dynamic response...
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Automated Valuation Model based on fuzzy and rough set theory for real estate market with insufficient source data
PublikacjaObjective monitoring of the real estate value is a requirement to maintain balance, increase security and minimize the risk of a crisis in the financial and economic sector of every country. The valuation of real estate is usually considered from two points of view, i.e. individual valuation and mass appraisal. It is commonly believed that Automated Valuation Models (AVM) should be devoted to mass appraisal, which requires a large...