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Updated: Sep 3, 2025

Microscale Vortex-assisted Electroporator for Sequential Molecular Delivery

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Published on: August 7, 2014

Molecular Electrides: An In Silico Perspective.

Ranajit Saha^1,2, Prasenjit Das², Pratim Kumar Chattaraj²

¹Institute for Chemical Reaction Design & Discovery (ICReDD), Hokkaido University, Sapporo, Japan.

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry

|July 27, 2022

Summary

This summary is machine-generated.

Electrides are ionic compounds with electrons as anions. This review details computational methods for characterizing molecular electrides and their catalytic applications.

Keywords:

electrides electron localization function molecular electrides non-linear optical properties non-nuclear attractor

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Published on: January 25, 2020

Area of Science:

Materials Science
Computational Chemistry

Background:

Electrides are ionic compounds where electrons act as anions, localized in crystal voids or interlayers.
Three categories exist: organic, inorganic, and molecular electrides.
Computational techniques are vital for studying electride materials.

Purpose of the Study:

To review computational methodologies for characterizing molecular electrides.
To discuss criteria for identifying electride characteristics.
To explore the catalytic applications of electrides.

Main Methods:

Review of computational techniques and basis sets for molecular electrides.
Analysis of criteria for electride identification.
Justification of molecular electrides based on established criteria.

Main Results:

Detailed discussion of computational methods and their limitations for molecular electrides.
Thorough explanation of electride identification criteria with examples.
Presentation of systems with electride-like properties that are not classified as electrides.

Conclusions:

Computational methods are essential for characterizing molecular electrides.
Clear criteria exist for identifying molecular electrides.
Electrides show potential for catalytic applications.