CHEMPUTE
Published in

CHEMPUTE

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.

Recommended from Medium

CS373 Spring 2022: Matthew Escobar Blog #14: Final Phase

Learning that can change your life !!

Multi-Module Spring Boot Project with Azure

JUnit — unit testing framework

Writing Mathematics on Medium

Key Benefits of the Software Development Life Cycle (Updated 2019)

How a Web Browser works | A Simple Step-by-step Guide

Create Your Cross-Account AWS Access with CloudFormation + Terraform

Get the Medium app

A button that says 'Download on the App Store', and if clicked it will lead you to the iOS App store
A button that says 'Get it on, Google Play', and if clicked it will lead you to the Google Play store
Aritra Roy

Aritra Roy

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

More from Medium

OpenCV — Python

On-Balance Volume Indicator Algorithm in Python

Applications Of Python

Statements and Looping in python