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Dielectric Constant Calculation of Poly(vinylidene fluoride) Based on Finite Field and Density Functional Theory
In this study, we proposed a novel method that integrates density functional theory (DFT) with the finite field method to accurately estimate the...
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Dielectric Mismatch Effects on Polyelectrolyte Solutions in Electrified Nanopores: Insights from Mean-Field Theory
AbstractWe utilize the self-consistent field theory to explore the mechanical and electrical properties of charged surfaces immersed in...
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Numerical Study of Two Opposing Weak Polyelectrolyte Brushes by the Self-consistent Field Theory
The self-consistent field theory (SCFT) was employed to numerically study the interaction and interpenetration between two opposing weak...
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Effect of Geometrical Parameters on Local Electric Field Enhancement of Bimetallic Three-Layered Nanotubes by Using Quasi-static Theory
Due to the plasmon hybridization between nanowire and outer nanotube, the geometrical parameters of nanotube take great effect on absorption cross...
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A review: the development of field synergy and its application to cooling exchangers in the hot-wet mining field
Convective heat and mass transfer are common phenomena in the field of engineering. In recent years, the research on convective heat and mass...
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Spectral approximation scheme for a hybrid, spin-density Kohn–Sham density-functional theory in an external (nonuniform) magnetic field and a collinear exchange-correlation energy
We provide a mathematical justification of a spectral approximation scheme known as spectral binning for the Kohn–Sham spin density-functional theory...
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Polyelectrolyte Theory
In this chapter we review recent advances which have been achieved in the theoretical description and understanding of polyelectrolyte solutions. We...
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Ligand Field Theoretical Considerations
The phenomenon of the thermal spin transition, as observed for octahedral transition metal complexes having a d...
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Building a new reasonable atomic theory
ContextThis article is an initiation to build reasonable atomic/molecular theory to study chemicals utilized in different sectors of science...
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Magnetic Field and Moisture Diffusivity Effects on Photo-Elasto-Thermodiffusion Waves in Excited Semiconductor Materials
In this article, a novel model was studied that explains the interaction between the equations governing the photo-thermoelasticity theory in the...
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Quantum optimal control theory for a molecule interacting with a plasmonic nanoparticle
In this work, we extend the quantum optimal control theory of molecules subject to laser pulses to the case of molecules close to plasmonic metal...
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Focusing Mechanisms in Micro-thermal Field-Flow Fractionation
Progress in theory of separation mechanisms controlling the Micro-Thermal Field-Flow Fractionation of the macromolecular and particulate species...
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Open-Shell Oligomers and Polymers: Theory, Characterization Methods, Molecular Design, and Applications
Open-shell oligomers and polymers have exhibited intriguing electronic and magnetic properties, making them highly desirable for a wide range of...
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Pulsed Electric Field Extraction
An efficient nonthermal food processing method is called pulsed electric field processing. It involves applying a short-duration, high-voltage pulse...
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DFT Computational Study of a Candidate Field-Effect Molecular Wire
AbstractBased on molecular nanoelectronic knowledge, field-effect molecular electronic devices (such as molecular wires, molecular switches, and...
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NMR Theory
In the opening chapter of this thesis, I provide an overview of basic NMR theory, specifically, the dynamics of quantum systems containing one or...
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Introductory Group Theory
A group comprises mathematical elements that satisfy four simple definitions. A bunch of groups exists under these simple definitions. This makes the...
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Circuit Theory
Magnetomicrofluidic chips operate based on the concepts of the circuit theory. Hence, this theory is discussed in this chapter. Electrical circuits...
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Basic Theory
It needs various theories and principlesPrinciple to master SPRi such as waveWave theory.
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Applying the potential theory of adsorption for adsorptive heat transformation
Adsorptive heat transformation is an emerging technology that can store heat, convert it to heat with another temperature potential, and generate...
