B.E. (Chemical Engineering) Introduction to Computational Chemistry Syllabus - Mumbai University 2026
The University has moved this degree onto NEP 2020 one year at a time. The first and second years are NEP 2020 syllabi; the third and fourth years are still examined on the REV-2019 'C' Scheme, which is what the University sets for them this year.
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Syllabus for Introduction to Computational Chemistry
Module 1: Introduction to Computational Chemistry printed in the syllabus as Module Detailed Content
- A) Definition and scope B) Importance in modern chemical research C) Computational investigations
Module 2: Tools of Computational Chemistry printed in the syllabus as Module Detailed Content
- A) Molecular Mechanics B) Ab initio Calculations C) Semi Empirical methods D) Density Functional Theory E) Molecular dynamics
Module 3: Basics of Quantum mechanics printed in the syllabus as Module Detailed Content
- A) Fundamental concepts: particles, waves, and quantization B) Schrödinger equation and its significance C) Simple systems: particle in a box, hydrogen atom
Module 4: Molecular mechanics printed in the syllabus as Module Detailed Content
- A) Force fields: definition and components B) Potential energy surfaces and molecular modeling C) Applications of molecular mechanics in predicting molecular properties
Module 5: Molecular Structure and Bonding printed in the syllabus as Module Detailed Content
- A) Atomic orbitals and electron configuration B) Molecular orbitals: formation and significance C) Bonding theories: Valence Bond Theory (VBT) and Molecular Orbital Theory (MOT)
Module 6: Computational Methods in Quantum Chemistry printed in the syllabus as Module Detailed Content
- A) Introduction to Hartree-Fock method B) Basis sets and their importance
Recommended Books
- 1 "Introduction to Computational Chemistry" by Frank Jensen, John Wiley & Sons, Ltd
- 2 "Essentials of Computational Chemistry: Theories and Models" by Christopher J. Cramer, John Wiley & Sons, Ltd
- 3 Computational Chemistry, David C. Young, John Wiley & Sons, Inc, Publication
- 1 MIT OpenCourseWare: Computational Chemistry
- 2 Khan Academy: Basic Quantum Mechanics
- 3 https://www.sciencedirect.com/topics/chemistry/computational- chemistry#:~:text=Computational%20chemistry%20is%20a%20branch,properties%2 0of%20 molecules%20%5B43%5D
- 1 N.D. Bhatt, "Engineering Drawing (Plane and solid geometry)", Charotar Publishing House Pvt.
- 2 N.D. Bhatt & V.M. Panchal, "Machine Drawing", Charotar Publishing House Pvt. Ltd.
- 1 Narayana, K.L. & P Kannaiah (2008), Textbook on Engineering Drawing, Scitech Publisher.
- 1 https://archive.nptel.ac.in/courses/112/105/112105294/
- 2 https://nptel.ac.in/courses/112103019
- 3 https://archive.nptel.ac.in/courses/112/102/112102304/
Reproduced from the University of Mumbai syllabus for B.E. (Chemical Engineering) under NEP 2020, in force from the academic year 2024-25. Wording is as printed in that syllabus. Modules are numbered in sequence here; in the syllabus itself, Module 1 is printed as Module Detailed Content; Module 2 is printed as Module Detailed Content; Module 3 is printed as Module Detailed Content; Module 4 is printed as Module Detailed Content; Module 5 is printed as Module Detailed Content; Module 6 is printed as Module Detailed Content. The PDF above is the syllabus's own page, unaltered.
The complete syllabus
This subject is cut from the University circular for its year. Open a document here if you want the whole thing rather than a single subject.