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

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![Transition state optimization for [4+2] coupling reaction using Gaussian 09 (QST2 method)](https://i.ytimg.com/vi/vbqlEbXRzwk/hqdefault.jpg?sqp=-oaymwE9CNACELwBSFryq4qpAy8IARUAAAAAGAElAADIQj0AgKJDeAHwAQH4Af4JgALQBYoCDAgAEAEYSSBIKHIwDw==&rs=AOn4CLAstk9bVKf1al65LLqHkf5vioZs_g)
Transition state optimization for [4+2] coupling reaction using Gaussian 09 (QST2 method)

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