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Basic Introduction to Computational Chemistry Tools: Spartan (Part-2)

This is the continuation of Spartan - Part 1. In Part-1, I have talked about the basic features that Spartan provides us. Also, I have discussed how to build molecules in Spartan (both in 2D and 3D formats), all types of models and output files available in Spartan. Furthermore, I have discussed bond breaking-bond making and energy optimization. For those, who didn’t…




A personal publication on theoretical computational chemistry tools and different methods used in the theoretical computational field. One can find different topics related to practical handling and methods used in the theoretical calculation for a reaction.

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Aritra Roy

Aritra Roy

Theoretical/Computational Chemist | Pondicherry University | CIS Lab — Learning New Everyday | Interested in Tech, Crypto, NFT, Blockchain | Love to Help 🙏🙏

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