Edodovivmagarwal
Chemistry - Graduate Chemistry - Computational chemistry - Introduction to Computational Chemistry
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Chemistry - Graduate Chemistry - Computational chemistry - Introduction to Computational Chemistry

vivmagarwal
vivmagarwalJan 29, 2026

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4-step overview. Step 1: 'WHAT IS COMPUTATIONAL CHEMISTRY? Using computers to solve chemical problems by calculating molecular properties from quantum mechanics (or approximations thereof). Applications: predict reaction energies, optimize geometries, calculate spectra (IR, NMR, UV), design drugs, u

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ChemistryGraduate Chemistry

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