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标题: {芳香性} Hue Vector Plots: 优雅地展示磁感生电流 [打印本页]

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Author: Hugo_314cat 时间: 4 hour ago
标题: {芳香性} Hue Vector Plots: 优雅地展示磁感生电流
本帖最后由 Hugo_314cat 于 2026-3-4 13:06 编辑

{Elegantly Displaying Aromaticity} Hue Vector Plots: Elegantly Displaying the Magnetically-Induced Currents

熟悉芳香性研究的朋友们都知道，目前展示环电流的方式有箭头、流线与等值面等。然而，这些方式都不足以能够同时展现出环电流的朝向、大小、细节结构等信息。Those familiar with the study of aromaticity know that current methods for visualizing ring currents include arrows, streamlines, and isosurfaces. However, none of these approaches are sufficient to comprehensively convey information such as the direction, magnitude, and fine structural details of ring currents.

Hue Vector Plots 使用 Hue color 对环电流朝向进行着色，并提供相应的等值面图。经过简单的适应，读者便可以通过此图同时清楚环电流的朝向、大小、细节结构。
Hue Vector Plots use Hue coloring to encode the direction of ring currents and provide corresponding isosurface maps. After a brief familiarization, readers can simultaneously and clearly observe the direction, magnitude, and fine structural details of the ring currents through this visualization.

引用声明：本文全部内容均来自最后引用文献的Supplementary Materials部分。
Citation statement: All contents of this blog are cited from the Supplementary Materials of the preprint shown at the bottom.

图例：
Legend:
(, 下载次数 Times of downloads: 1)

下面展示一些例子：
Some examples are shown below:

苯
Benzene
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萘
Naphthalene
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晕苯
Coronene
(, 下载次数 Times of downloads: 1)

无机苯
B3N3H6
(, 下载次数 Times of downloads: 1)

Pentalene
(, 下载次数 Times of downloads: 1)

若在您的工作中应用了 Hue Vector Plots，暂时请引用下文：
If you applied the Hue Vector Plots in your work, please cite the following preprint (temporarily):

doi.org/10.26434/chemrxiv-2025-z5lf6/v4

绘图代码可以考虑先生成二维格点数据（每个格点都是二元矢量数组），然后再使用python现搓一个绘图脚本。
For practicing, one may consider first generating 2D grid data (where each grid point is a 2D vector array) and then generating a plotting script from scratch using Python.

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