Jove
Visualize
联系我们
JoVE
x logofacebook logolinkedin logoyoutube logo
关于 JoVE
概览领导团队博客JoVE 帮助中心
作者
出版流程编辑委员会范围与政策同行评审常见问题投稿
图书馆员
用户评价订阅访问资源图书馆顾问委员会常见问题
研究
JoVE JournalMethods CollectionsJoVE Encyclopedia of Experiments存档
教育
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab Manual教师资源中心教师网站
使用条款与条件
隐私政策
政策

相关概念视频

Potential Due to a Polarized Object01:29

Potential Due to a Polarized Object

349
A neutral atom consists of a positively charged nucleus surrounded by a negatively charged electron cloud. When placed in an external electric field, the external electric force pulls the electrons and nucleus apart, opposite to the intrinsic attraction between the nucleus and the electrons. The opposing forces balance each other with a slight shift between the center of masses of the nucleus and the electron cloud, resulting in a polarized atom. On the other hand, a few molecules, like water,...
349
Susceptibility, Permittivity and Dielectric Constant01:26

Susceptibility, Permittivity and Dielectric Constant

1.3K
When placed in an external electric field, a dielectric material gets polarized. The charge density in the dielectric material is given by the sum of the bound and free charge densities, while the total charge density can also be written in terms of the total electric field. The bound charge density can be measured in terms of polarization, leading to the relationship between electric displacement and polarization.
1.3K
Dielectric Polarization in a Capacitor01:31

Dielectric Polarization in a Capacitor

4.5K
The presence of a dielectric medium in a capacitor not only changes the voltage and capacitance but also affects the electric field. In general, dielectrics can be of two types: polar and nonpolar. In a polar dielectric, the positive and negative charges in the molecules are separated by a distance and hence have a permanent dipole moment. In contrast, no such charge separation exists in a nonpolar dielectric, however the nonpolar molecules get polarized in the presence of an external electric...
4.5K
Density00:56

Density

13.9K
Density is an important characteristic of substances, crucial in determining whether an object sinks or floats in a fluid. Its SI unit is kg/m3, and its cgs unit is g/cm3. The density of an object helps in identifying its composition, and also reveals information about the phase of the matter and its substructure. The densities of liquids and solids are roughly comparable, consistent with the fact that their atoms are in close contact. However, gases have much lower densities than liquids and...
13.9K
Curvilinear Motion: Polar Coordinates01:27

Curvilinear Motion: Polar Coordinates

331
In polar coordinates, the motion of a particle follows a curvilinear path. The radial coordinate symbolized as 'r,' extends outward from a fixed origin to the particle, while the angular coordinate, 'θ,' measured in radians, represents the counterclockwise angle between a fixed reference line and the radial line connecting the origin to the particle.
The particle's location is described using a unit vector along the radial direction. Deriving the particle's position...
331
Bond Polarity, Dipole Moment, and Percent Ionic Character02:48

Bond Polarity, Dipole Moment, and Percent Ionic Character

28.4K
Bond Polarity
28.4K

您也可能阅读

相关文章

通过共同作者、期刊和引用图与本文相关的文章。

排序
Same author

A State-Averaged Formulation for Variational Multiconfigurational Pair-Density Functional Theory.

Journal of chemical theory and computation·2026
Same author

Assessment of Excited-State Methods for One- and Two-Photon Absorption in the Retinal Protonated Schiff Base.

The journal of physical chemistry. A·2026
Same author

Substrate selectivity of human histidine methyltransferase METTL9.

Protein science : a publication of the Protein Society·2026
Same author

Introducing PAIMP, the polarizable ab initio model potential method for embedded clusters.

The Journal of chemical physics·2026
Same author

Sterol trafficking in yeast studied by one- and two-photon live-cell imaging of an intrinsically fluorescent ergosterol analog.

Methods and applications in fluorescence·2026
Same author

Self-Sensitized Photooxidation in Extended Tetrathiafulvalenes.

The Journal of organic chemistry·2026

相关实验视频

Updated: May 14, 2025

A Photonic System for Generating Unconditional Polarization-Entangled Photons Based on Multiple Quantum Interference
00:07

A Photonic System for Generating Unconditional Polarization-Entangled Photons Based on Multiple Quantum Interference

Published on: September 5, 2019

8.3K

精确的两个组成部分的相对论极化密度嵌入.

Ernst Dennis Larsson1, Peter Reinholdt1, Jacob Kongsted1

  • 1Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Campusvej 55, Odense M DK-5230, Denmark.

Journal of chemical theory and computation
|April 18, 2025
PubMed
概括
此摘要是机器生成的。

我们开发了一个新的基于相对论片段的极化密度嵌入 (PDE) 模型. 这种先进的方法准确地模拟了具有相对论效应的solvated系统,消除了旧模型中看到的虚假峰值.

更多相关视频

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

5.6K
Author Spotlight: Exploring Cellular Processes by Modeling Ligands in Cryo-EM Maps
09:30

Author Spotlight: Exploring Cellular Processes by Modeling Ligands in Cryo-EM Maps

Published on: July 19, 2024

1.1K

相关实验视频

Last Updated: May 14, 2025

A Photonic System for Generating Unconditional Polarization-Entangled Photons Based on Multiple Quantum Interference
00:07

A Photonic System for Generating Unconditional Polarization-Entangled Photons Based on Multiple Quantum Interference

Published on: September 5, 2019

8.3K
Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

5.6K
Author Spotlight: Exploring Cellular Processes by Modeling Ligands in Cryo-EM Maps
09:30

Author Spotlight: Exploring Cellular Processes by Modeling Ligands in Cryo-EM Maps

Published on: July 19, 2024

1.1K

科学领域:

  • 计算化学的计算化学
  • 量子化学 是一个量子化学.
  • 相对论量子力学相对论量子力学

背景情况:

  • 对具有相对论效应的溶解系统进行准确的建模至关重要.
  • 传统的极化嵌入模型在这种系统中与电子泄漏作斗争.
  • 埃克萨克特二元组件 (X2C) 哈密尔顿是相对论计算的关键工具.

研究的目的:

  • 在相对论框架内实施基于片段的极化密度嵌入 (PDE) 模型.
  • 为了解决电子泄漏问题,在模拟具有显著相对论效应的溶解系统中.
  • 为了验证新的相对论PDE模型的准确性.

主要方法:

  • 基于片段的PDE模型与X2C相对论汉密尔顿式的整合.
  • 对水溶解氨酸的K-和L2,3-边谱进行比较计算.
  • 包括 counterions (例如,Na+) 来测试模型的强度.

主要成果:

  • 相对论PDE模型成功地消除了由电子泄漏引起的虚假峰值.
  • 精确建模溶解氨酸光谱,即使在存在 counterions.
  • 与较旧的极化嵌入模型相比,表现出更高的性能.

结论:

  • 新实施的相对论PDE模型是研究具有相对论效应的溶解系统的强大而准确的工具.
  • 这一进步解决了诸如复杂化学环境中的电子泄漏等关键问题.
  • 该模型为相对论制度中的光谱预测提供了一种可靠的方法.