HTML Website BuilderExplore our comprehensive Gaussian and GaussView tutorials, designed for students, researchers, and professionals in computational chemistry. These tutorials guide you through setting up calculations, visualizing molecular structures and properties, analyzing vibrational frequencies, and interpreting results with ease. With clear, practical examples and step-by-step explanations, you can quickly gain hands-on experience using Gaussian software and the GaussView interface. Perfect for beginners and advanced users alike, these tutorials help you streamline your computational chemistry workflow and build confidence in performing accurate molecular simulations.
Kickstart Gaussian the right way! In this beginner-friendly tutorial, I introduce the GaussView interface, show how to draw a cobalt (transition-metal) complex, and set up & run a geometry optimization in Gaussian—all inside GaussView. Perfect for students and researchers entering computational/quantum chemistry with practical, reproducible steps.
🗣️ Language: Urdu — English captions available.
What you’ll learn
GaussView UI essentials (building, selecting, editing)
Drawing a cobalt complex quickly and cleanly
Setting up a Gaussian optimization from GaussView
Submitting the job and checking results/output basics
Ideal for: DFT/ab initio beginners, molecular modeling learners, and anyone who wants a fast, visual route to running Gaussian jobs with GaussView.
In this tutorial, Dr. M. A. Hashmi shows how to visualize and interpret Gaussian output files using GaussView. Learn how to explore molecular properties, analyze vibrational frequencies, check molecular charges, and understand dipole moments step by step. This video is perfect for students, researchers, and beginners in computational chemistry who want to quickly master the art of reading Gaussian results visually and efficiently.
What you’ll learn
How to open and explore Gaussian output files in GaussView
Visualizing molecular properties (charges, dipoles, orbitals, etc.)
Checking and interpreting vibrational frequencies
Understanding dipole moments and molecular charges
Making the most of GaussView for efficient analysis
In this tutorial, Dr. M. A. Hashmi explains how to visualize Molecular Orbitals (MOs) and Electrostatic Potential (ESP) Maps using GaussView. You’ll learn how to generate and interpret ESP surfaces from checkpoint (.chk) files, and how to display molecular orbitals for deeper insight into electronic structure.
What you’ll learn:
How to create and visualize Molecular Orbitals in GaussView
Drawing and analyzing Electrostatic Potential Maps from Gaussian chk files
Understanding electron density distribution and charge separation
Practical steps for interpreting ESP maps in computational chemistry
🗣️ Language: Urdu — English captions available
In this tutorial, Dr. M. A. Hashmi demonstrates how to draw 2D contour plots and visualize Molecular Orbital (MO) Energy Level diagrams using GaussView. Learn step-by-step how to work with Gaussian chk/fchk files to generate contour surfaces and analyze orbital energy levels.
What you’ll learn:
Creating and interpreting 2D contour plots in GaussView
Visualizing MO energy diagrams for Gaussian calculations
Using chk and fchk files to plot surfaces
Practical tips for exploring molecular electronic structure
🗣️ Language: Urdu — English captions available
In this tutorial, Dr. M. A. Hashmi demonstrates how to build complex molecules using GaussView. Learn practical techniques for drawing and constructing challenging molecular structures, including complex natural products that cannot be easily drawn with simple tools.
What you’ll learn:
Step-by-step process for building complex molecules in GaussView
Tips for handling large and intricate structures
Practical tricks for constructing natural products and advanced molecules
How to prepare these structures for Gaussian calculations
In Tutorial 06, I describe the concept of Potential Energy Surface (PES) scans in Gaussian and explain the difference between rigid and relaxed scans. You will also learn step by step how to set up a rigid PES scan in GaussView. This tutorial is especially useful for beginners who want to understand molecular conformations and systematic energy scans in Gaussian.
📌 Topics Covered:
What are rigid vs relaxed PES scans?
Setting up rigid scans in GaussView
Understanding PES in Gaussian
In this tutorial, I explain Potential Energy Surface (PES) scans in Gaussian with a focus on relaxed scans. You’ll learn the difference between rigid vs. relaxed scans and how to set up a relaxed PES scan in GaussView. Relaxed scans are particularly useful for exploring reaction pathways, torsional profiles, and minimum energy conformations since the geometry is optimized at each step.
What you’ll learn
Difference between rigid and relaxed PES scans
Step-by-step setup of a relaxed scan in GaussView
Choosing coordinates for scanning (bond, angle, dihedral)
Running Gaussian jobs and interpreting the energy landscape
Applications in conformational and reaction pathway studies
Learn how to analyze chemical reactions using Gaussian in Tutorial 08 with Dr. M A Hashmi.
This tutorial covers finding reaction energetics, identifying transition states (TS), exploring reaction pathways, and drawing the final energy diagram. Using an SN2 reaction as an example, you will understand step-by-step how to calculate and visualize reaction mechanisms with Gaussian.
Perfect for chemistry students, computational chemists, and anyone interested in reaction modeling.
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