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Idea of Z-Matrix

Offered By: NPTEL-NOC IITM via YouTube

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Computational Chemistry Courses Molecular Modeling Courses

Course Description

Overview

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Explore the fundamental concept of Z-matrix in this concise 11-minute lecture from NPTEL-NOC IITM. Gain a clear understanding of the Z-matrix structure, its applications in molecular geometry representation, and its significance in computational chemistry. Learn how to construct and interpret Z-matrices for various molecular systems, and discover their role in optimizing molecular structures and performing quantum chemical calculations. Delve into the advantages of using Z-matrices over Cartesian coordinates for describing molecular geometries, particularly for large and complex molecules.

Syllabus

Idea of Z-matrix


Taught by

NPTEL-NOC IITM

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