Two-center potential correlations and its use to determine effective ion-ioninteractions and dielectric permittivities in dipolar solvents

Gunnar Karlstrom; Per Linse; Clifford E. Woodward

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Two-center potential correlations and its use to determine effective ion-ioninteractions and dielectric permittivities in dipolar solvents

机译：两中心电势相关性及其在确定偶极溶剂中有效的离子-离子相互作用和介电常数方面的用途

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General expressions for two-center electrostatic potential correlations and its use to determine (i) theeffective interaction between simple ions in a dipolar solvent and (ii) the dielectric permittivity ofthe solvent are proposed. Such two-center potential correlations were determined from Monte Carlo simulations of spherically confined dipolar particles embedded in a dielectric medium described byusing an image charge approximation. The deduced dielectric permittivities increased with increasing dipolar moment, and at large dipole moments the effective interaction displayed anattractive first minimum

机译：提出了两中心静电势相关性的一般表达式及其在确定（i）双极性溶剂中简单离子之间的有效相互作用和（ii）溶剂介电常数方面的用途。通过使用图像电荷近似描述的嵌入在电介质中的球形受限偶极粒子的蒙特卡罗模拟，确定了这样的两个中心电位相关性。推导的介电常数随偶极矩的增加而增加，在大偶极矩时，有效相互作用表现出有吸引力的第一最小值

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《The Journal of Chemical Physics》 |2010年第8期|共8页
作者
Gunnar Karlstrom; Per Linse; Clifford E. Woodward;
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正文语种 eng
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General; expressions; two-center;

机译：一般;表达;两个中心;

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1. Two-center potential correlations and its use to determine effective ion-ioninteractions and dielectric permittivities in dipolar solvents [J] . Gunnar Karlstrom, Per Linse, Clifford E. Woodward The Journal of Chemical Physics . 2010,第8期

机译：两中心电势相关性及其在确定偶极溶剂中有效的离子-离子相互作用和介电常数方面的用途
2. Two-center potential correlations and its use to determine effective ion-ioninteractions and dielectric permittivities in dipolar solvents [J] . Gunnar Karlstrom, Per Linse, Clifford E. Woodward The Journal of Chemical Physics . 2010,第8期

机译：两中心电势相关性及其在确定偶极溶剂中有效的离子-离子相互作用和介电常数方面的用途
3. Two-center potential correlations and its use to determine effective ion-ion interactions and dielectric permittivities in dipolar solvents [J] . Gunnar Karlström, Per Linse, Clifford E. Woodward Journal of Chemical Physics . 2010,第8期

机译：两中心电势相关性及其在确定偶极溶剂中有效的离子-离子相互作用和介电常数方面的用途
4. Application of the hybrid projective methods for determining effective permittivity of artificial 1D- and 2D-periodic dielectric layers [C] . Smolnikova Olga N., Skobelev Sergei P. European Conference on Antennas and Propagation . 2015

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5. Inclusion of core valence correlation corrections in frozen core calculations using relativistic effective potentials [D] . LaJohn, Lawrence A. 1990

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6. Self-consistent treatment of the local dielectric permittivity and electrostatic potential in solution for polarizable macromolecular force fields [O] . Sergio A. Hassan -1

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7. A New Model to Determine Effective Permittivity and Resonant Frequency of Patch Antenna Covered With Multiple Dielectric Layers [O] . Dinesh Rano, Muhammad A. Chaudhary, Mohammad S. Hashmi 2020

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8. Field Dependent Local Effective Permittivity for the Finite Difference Analysis of Arbitrary Dielectric Interfaces [R] . Kaerkkaeinen, K. 2002

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Two-center potential correlations and its use to determine effective ion-ioninteractions and dielectric permittivities in dipolar solvents

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