Tutorial 14 | Modeling a Diels-Alder Reaction in Gaussian (Pericyclic Reactions) | Dr M A Hashmi

In this tutorial, I explain how to model the Diels–Alder reaction using Gaussian. This pericyclic reaction is demonstrated with the example of cyclopentadiene and ethene, where I guide you step by step to set up the calculation, locate the transition state (TS), and understand the reaction profile. Key topics covered: Basics of Diels–Alder (pericyclic) reactions in computational chemistry Setting up reactants and transition state in Gaussian Understanding reaction pathways and energy profiles Practical demonstration for students and researchers This tutorial is highly useful for learners of computational chemistry, DFT methods, and reaction mechanism modeling. ✅ 📲 Follow & Connect with Dr. M. A. Hashmi: 🌐 Website: https://comp-chem.netlify.app 📘 Facebook:   / wisdomcenterbydrhashmi   📸 Instagram: instagram.com/hashmi_photography 🔔 Subscribe for more tutorials on Gaussian, GaussView, DFT, computational chemistry, and molecular modeling! #ComputationalChemistry #DFT #Gaussian #GaussView #DielsAlder #PericyclicReactions #ReactionMechanism #DrMAHashmi

ORCA Tutorial | How to Make ORCA Input Files and Read Output Files
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ORCA Tutorial | How to Make ORCA Input Files and Read Output Files

DFT Analysis Using Gaussian & GaussView: HOMO-LUMO, Optimization, Frequencies & UV-Vis Analysis
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DFT Analysis Using Gaussian & GaussView: HOMO-LUMO, Optimization, Frequencies & UV-Vis Analysis

Tutorial 08 | Describing Chemical Reactions With Gaussian | Dr M A Hashmi
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Tutorial 08 | Describing Chemical Reactions With Gaussian | Dr M A Hashmi

Diels alder reaction Organic Chemistry in Hindi | Cycloaddition reaction pericyclic for NET and GATE
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Diels alder reaction Organic Chemistry in Hindi | Cycloaddition reaction pericyclic for NET and GATE

Tutorial 16 | Binding Energy vs Interaction Energy Calculations  | Dr M A Hashmi
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Tutorial 16 | Binding Energy vs Interaction Energy Calculations | Dr M A Hashmi

How to use Avogadro and ORCA for molecular orbital diagrams, spectroscopy and more!
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How to use Avogadro and ORCA for molecular orbital diagrams, spectroscopy and more!

Transition state optimization for  [4+2] coupling reaction using Gaussian 09  (QST2 method)
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Transition state optimization for [4+2] coupling reaction using Gaussian 09 (QST2 method)

Tutorial 13 | Natural Bond Orbitals (NBO) Data Analysis Explained | Dr M A Hashmi
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Tutorial 13 | Natural Bond Orbitals (NBO) Data Analysis Explained | Dr M A Hashmi

GaussView 6 Tutorial 1: Building Molecules
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GaussView 6 Tutorial 1: Building Molecules

Tutorial 12 | Natural Bond Orbitals (NBO) Calculation in Gaussian Explained | Dr M A Hashmi
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Tutorial 12 | Natural Bond Orbitals (NBO) Calculation in Gaussian Explained | Dr M A Hashmi

NCI + QTAIM + ESP Explained | Full Molecular Analysis Workflow & Interpretation Guide | Dr MA Hashmi
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NCI + QTAIM + ESP Explained | Full Molecular Analysis Workflow & Interpretation Guide | Dr MA Hashmi

How to do molecular docking with nanoparticles | Gaussian, PyRx & Discovery Studio
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How to do molecular docking with nanoparticles | Gaussian, PyRx & Discovery Studio

How to perform a redundant coordinate scan calculation with GaussView and Gaussian
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How to perform a redundant coordinate scan calculation with GaussView and Gaussian

How to perform SCAN calculation in Gaussian
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How to perform SCAN calculation in Gaussian

TS Guess structure for Diels-Alder Reaction
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TS Guess structure for Diels-Alder Reaction

How to calculate Theoretical fluorescence spectra using Gaussian 09W/g16 | TD-DFT
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How to calculate Theoretical fluorescence spectra using Gaussian 09W/g16 | TD-DFT

Diels-Alder Reaction: Diene, Dienophile, and the Mechanism
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Diels-Alder Reaction: Diene, Dienophile, and the Mechanism

GaussView 6 Tutorial 4: 3-D Results Visualization
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GaussView 6 Tutorial 4: 3-D Results Visualization

How to perform Energy DFT calculation  & how to draw HOMO-LUMO in Gauss view using Gaussian?
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How to perform Energy DFT calculation & how to draw HOMO-LUMO in Gauss view using Gaussian?