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Maseras Group (maserasgroup-repo)

Maseras Group

maserasgroup-repo

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Computational Homogeneous Catalysis group at ICIQ (Institut Català d'Investigació Química), Tarragona, Spain.

Home Page:https://www.iciq.org/research/research_group/prof-feliu-maseras/

Twitter:@MaserasGroup

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Maseras Group's repositories

pyssian

Pyssian is an object oriented library for parsing Gaussian logfiles and input files which aims to facilitate the everyday scripting of computational chemists using Gaussian.

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bdeapp

A React app to calculate Bond Dissociation Energies

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pyssian-utils

A set of tools developed with pyssian (https://github.com/maserasgroup-repo/pyssian) to automate some tasks related with Gaussian files.

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