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This [course_title] provides an introduction to the most popular computational methods for studying the electronic structure and properties of molecules. It is designed in a very systematic and logical manner for self-learning of a virtual learner. You will learn how to perform state-of-the-art quantum-chemical calculations and become able to use these in a number of situations, including applications in synthetic chemistry (calculation of reaction paths), accurate prediction of physical properties (for example, dipole moments and Gibbs free energies), and interpretation of spectra (XPS, IR, UV).


This course does not involve any written exams. Students need to answer 5 assignment questions to complete the course, the answers will be in the form of written work in pdf or word. Students can write the answers in their own time. Each answer needs to be 200 words (1 Page). Once the answers are submitted, the tutor will check and assess the work.


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Course Credit: Open Culture

Course Curriculum

Module: 01
Mod-01 Lec-01 Wave Paticle Duality 00:47:00
Mod-01 Lec-02 Standing Waves 00:50:00
Mod-01 Lec-03 Path Integrals and Schrodinger Equation 00:51:00
Mod-01 Lec-04 Postulates – Part1 00:44:00
Mod-01 Lec-05 Postulates – Part2 00:50:00
Mod-01 Lec-06 Postulates – Part3 00:50:00
Module: 02
Mod-02 Lec-07 Separting Variables and Particle in a Box 00:49:00
Mod-02 Lec-08 Particle in a box -Part2 00:48:00
Mod-02 Lec-09 Particle in a box -Part3 00:50:00
Mod-02 Lec-10 Particle in a box-time dependent states-Expectations values and time dependent states 00:44:00
Mod-02 Lec-11 Particle in a 3 dimensional box 00:52:00
Mod-02 Lec-12 Particle in a well of finite depth 00:50:00
Mod-02 Lec-13 Finite well, Delta and Step Functions 00:50:00
Mod-02 Lec-14 Finite well, Continued 00:21:00
Module: 03
Mod-03 Lec-15 Tunneling -part1 00:51:00
Mod-03 Lec16 Tunneling -part2 00:40:00
Mod-03 Lec-17 Schrodinger equation for Harmonic Oscillator 00:38:00
Mod-03 Lec-18 Harmonic Oscillator – The Series Solution 00:51:00
Mod-03 Lec-19 Harmonic Oscillator – Generating function 00:49:00
Mod-03 Lec-20 Harmonic Oscillator – Orthogonality of Eigenfunctions 00:49:00
Module: 04
Mod-04 Lec-21 Hydrogen Atom: Separating centre of mass motion and integral motion 00:48:00
Mod-04 Lec-22 Hydrogen Atom: Polar Co-ordinates 00:50:00
Mod-04 Lec-23 Hydrogen atom continued : Separation of variables 00:52:00
Mod-04 Lec-24 Hydrogen atom : Finding the functions Θ (θ) and Φ(φ) 00:50:00
Mod-04 Lec-25 Finding R(r) 00:42:00
Mod-04 Lec-26 Atomic Orbitals -Part 1 00:50:00
Mod-04 Lec-27 Atomic Orbitals -Part 2 00:52:00
Mod-04 Lec-28 Atomic Orbitals -Part 3 00:42:00
Mod-04 Lec-29 Atomic Orbitals -Part 4 and Hermitian Operators 00:48:00
Module: 05
Mod-05 Lec-30 Measurement, Uncertainty Principle 00:48:00
Mod-05 Lec-31 Generalized Uncertainty Principle 00:48:00
Mod-05 Lec-32 Generalized Uncertainty Principle – Continued 00:50:00
Mod-05 Lec-33 Angular Momentum 00:40:00
Mod-05 Lec-34 Angular Momentum – Continued 00:47:00
Mod-05 Lec-35 Angular Momentum – Continued and Spin 00:00:00
Module: 06
Mod-06 Lec-36 Pertubation Theory 00:46:00
Mod-06 Lec-37 Pertubation Theory – Continued 01:00:00
Mod-06 Lec-38 Variation Method – Introduction 00:28:00
Mod-06 Lec-39 Variation Method – Proof and Illustration 00:52:00
Mod-06 Lec-40 He atom wave function with spin included -Paulis principle 00:52:00
Module: 07
Mod-07 Lec-41 Hydrogen Molecular ion – Linear variation method 00:50:00
Mod-07 Lec-42 Hydrogen Molecular ion – continued 00:51:00
Mod-07 Lec-43 Hydrogen Molecular ion -continued 00:48:00
Mod-07 Lec-44 Molecuar Orbitals The Hydrogen Molecule 00:49:00
Mod-07 Lec-45 MO and VB theory 00:35:00
Mod-07 Lec-46 MO theory of diatoms 00:51:00
Mod-07 Lec-47 Di -atomics-continued 00:48:00
Mod-07 Lec-48 Hybridization Huckel theory 00:50:00
Mod-07 Lec-49 Huckel MO Theory continued 00:48:00
Submit Your Assignment 00:00:00
Certification 00:00:00

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