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YouTube

Introduction to IQmol: Building Molecules and Analyzing Results - Session 2

QChemSoftware via YouTube

Overview

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Explore a 27-minute crash course and demonstration on IQmol, Q-Chem's graphical user interface, presented by Shannon Houck from Q-Chem as part of the 2023 Virtual Winter School in Computational Chemistry. Learn how to build molecules, submit calculations to the Q-Chem server, and analyze results. Gain insights into the IQmol interface, molecule construction techniques, job submission processes, and output analysis. Discover additional resources and exercises to enhance your understanding. Access the accompanying lab exercise and full workshop program for a comprehensive learning experience in computational chemistry.

Syllabus

Introduction
IQmol Interface
Building Molecules
Building Aspirin
Running Calculations
Submitting Jobs
Analyze Output
Additional Resources
Exercises
Installation

Taught by

QChemSoftware

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