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A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn

3,540
Citations
August 28, 2024
Published Date

Research Abstract & Technology Focus

Analysis of electron wavefunction is a key component of quantum chemistry investigations and is indispensable for the practical research of many chemical problems. After more than ten years of active development, the wavefunction analysis program Multiwfn has accumulated very rich functions, and its application scope has covered numerous aspects of theoretical chemical research, including charge distribution, chemical bond, electron localization and delocalization, aromaticity, intramolecular and intermolecular interactions, electronic excitation, and response property. This article systematically introduces the features and functions of the latest version of Multiwfn and provides many representative examples. Through this article, readers will be able to fully understand the characteristics and recognize the unique value of Multiwfn. The source code and precompiled executable files of Multiwfn, as well as the manual containing a detailed introduction to theoretical backgrounds and very rich tutorials, can all be downloaded for free from the Multiwfn website (http://sobereva.com/multiwfn).
comprehensive electron wavefunction analysis toolbox chemists
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Frequently Asked Questions (FAQ)

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What is the core focus of the research titled 'A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn'?

This literature focuses on: Analysis of electron wavefunction is a key component of quantum chemistry investigations and is indispensable for the practical research of many chemical problems. After more than ten years of active development, the wavefunction analysis program ...

Are there open-source GitHub repositories related to A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn?

Yes, open-source projects like jackwener/opencli (Make Any Website & Tool Your CLI. A universal CLI Hub and AI-native runtime. Transform any website, Electron app, or local binary into a standardiz...) are actively building upon these concepts.

Which startups are commercializing the technology behind A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn?

Products like Atech are bringing this to market. Their focus is: Snap-together electronics built from a chat.

What other academic literature is closely related to 'A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn'?

Yes, highly correlated activity was mapped. An entry titled 'A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn' discusses this: Analysis of electron wavefunction is a key component of quantum chemistry investigations and is indispensable for the practical research of many ch...

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Commercial Realization

Startups and Open Source tools heavily associated with the concepts explored in this paper.

  • GitHub
    jackwener/opencli
    Make Any Website & Tool Your CLI. A universal CLI Hub and AI-native...
  • GitHub
    run-liyi/wechatpay
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  • Product Hunt
    Atech
    Snap-together electronics built from a chat

Enterprise Ecosystem Mentions

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