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An Introduction: I have prepared these online study materials in chemistry (mostly as webpages and PDF booklets) over the last several decades, recently re-arranged together in this site. As is listed below, this set of study materials include detailed discussions in the undergraduate chemistry topics of thermodynamics, introductory quantum chemistry, electrochemistry, molecular reaction dynamics, solids and ionic solids, and practical physical chemistry; in the postgraduate chemistry topics of statistical and non-equilibrium thermodynamics, advanced quantum chemistry, data analysis including hypothesis testing, heterogeneous catalysis, some topics in polymer chemistry, drawing molecular structures in computers, and advanced practical physical chemistry; as well as in some research topics of computational chemistry, namely modelling of molecules and refining of downloaded macromolecule PDB models, molecular mechanics (MM) and quantum mechanics (QM) based computations, docking computation of a drug candidate molecule in a bio-macromolecule, molecular dynamics (MD) simulations of macromolecules, along with visualisation of the computation results, all using various free software and explained using thorough, self-explanatory illustrations. The undergraduate/postgraduate level discussions stresses on in depth understanding of the concepts as well as learning to do any associated quantitative calculations, if any; while the research level discussions are aimed at enabling the readers to perform the computational chemistry works themselves.
This 40-page booklet discusses the undergraduate chemistry level concepts and ideas in thermodynamics, such as states and processes, heat capacities, thermochemistry, spontaneity, entropy, Gibbs and Helmholtz energies, etc.; stressing on in depth understanding of their meanings and the ability to do quantitative calculations relevant to the discussed topics.
Online Thermodynamics Class Materials of B.Sc. 2nd Semester at CU, 2021: These are the corresponding class notes (total 155 pages with rather large fonts for phone viewing), containing some additional insights and numerical problems as well as a few more topics such as the Joule-Thomson Effect.
This 58-page booklet discusses the postgraduate chemistry level concepts and ideas in non-equilibrium thermodynamics (generalised forces and flows, entropy production, coupled flows, steady state, etc.) and statistical thermodynamics (Boltzmann, F-D and B-E statistics, partition function and thermodynamic functions of gases, introduction to ensembles, canonical ensemble, gaseous chemical equilibrium), stressing on in depth understanding and the ability to perform the associated quantitative calculations.
Non-Equilibrium Thermodynamics of Thermoelectric Effects: These 5 pages discusses the related topic of non-equilibrium thermodynamics aspects of the thermoelectric effects such as Seebeck, Peltier and Thomson effects, along with some question-answers at the end on non-equilibrium thermodynamics in general.
Philosophical Aspects of Non-Equilibrium Thermodynamics: It is a small 2-page discussion talking about some conceptual topics such as long sustenance of ordered living bodies in apparent violation of the second law of thermodynamics.
This 25-page booklet discusses quantum chemistry at an introductory, undergraduate level, stressing on conceptual clarity and basic mathematical correctness, in expense of some derivation details and going only up to atom level, not discussing molecules!
Quantum Chemistry B.Sc. 5th Semester Classes, 2024: This set of extensive class-notes (57 pages with large fonts) has discussions about orbital angular momentum, rotation in diatomic molecules, hydrogen-like atomic system solutions and orbitals, many-electron atoms and MO-VB theories of bonding in molecules.
Hartree-Fock Theory for Electrons in Atoms and Molecules: This 9-page booklet discusses Hartree-Fock SCF (self consistent field) theory in molecular quantum chemistry, without restricting itself to closed subshell RHF (restricted HF) treatment.
Quantum Chemistry Topics DFT, PES, STO, Schmidt, etc.: These 13 pages have brief discussions on some important advanced quantum chemistry topics such as density functional theory, potential energy surfaces, Slater type orbitals, Schmidt orthogonalisation technique, Schwarz inequality and incompatible observables, central field model, electron repulsion parameters, etc.
Online Quantum Chemistry Class Materials of M.Sc. 3rd Semester at CU, 2020: These 42-page class-notes covers topics such as product wavefunctions and their Slater Determinantal linear combinations, permutation operator, Pauli antisymmetry principle, helium atom ground and excited configuration wavefunctions, atomic electronic states - terms and levels - cases of equivalent and non-equivalent electrons, energy differences between terms and levels, Zeeman effect, SCF theories, Hartree-Fock theory and Roothan equations.
Presentation of Introductory Quantum Chemistry: This is a small presentation for a short lecture on introductory quantum chemistry of atoms for undergraduate students, delivered at Nalbari College, Nalbari (Assam) in March, 2020.
Electrochemistry - The Story of Ionic Conduction of Electricity: This 12-page booklet discusses the undergraduate level topic of ionic conduction of electricity in depths, relating molar conductivity with ionic mobilities and also with diffusion coefficients, and discussing the electrode interfaces where electronic and ionic conduction meets resulting in various situations of electrolysis. Both conceptual and quantitative aspects are prioritised here.
Electrochemistry - Galvanic Cells and their EMF: This 15-page booklet discusses the undergraduate level topic of Galvanic cells and their electromotive force variations in depth, discussing the conceptual aspect of why the EMF arises and how the cell current helps in performing an spontaneous chemical process, then discussing dependence of the EMF on the concentrations of the species, the liquid junction potential and its origin, relation of EMF to various physicochemical properties, fuel cells, understanding corrosion of metals with Galvanic cell concepts, etc. Both conceptual and quantitative aspects are prioritised here.
Some Topics in Molecular Reaction Dynamics - SCT, TST, PES and Solution Kinetics
This 9-page discussion deals with some advanced topics of kinetics at the undergraduate/postgraduate level in chemistry, namely simple collision theory, transition state theory, potential energy surface, and primary kinetic salt effect in solution kinetics. The treatment stresses both conceptual and quantitative aspects.
Kinetics in Elucidation of Reaction Mechanisms: It is a brief discussion (3 pages) on this small topic in physical chemistry.
Linear Free Energy Relationship: Idea of SAR, Hammett and Taft Equations: It is a brief discussion (4 pages) on this small topic in physical organic chemistry.
This is a concepts-oriented introductory concise discussion (10 pages) on this undergraduate chemistry topic. This covers the following sub-topics: types of solids; macroscopic properties of solids and of ionic solids; crystal lattices and units cells; types of crystal systems and Bravais lattices; lattice planes and their Miller-indices designations; close-packed structures for atomic and ionic crystals covering ionic radii, radius-ratio and ionic-structures, spinel and perovskite structures; lattice energy of ionic solids and its place in Born-Haber cycle calculations.
Blackbody Radiation and the Planck's Distribution Law: It is a 5-page discussion on this chemistry/physics topic, stressing on its quantitative as well as conceptual aspects.
Online Class Materials in Heterogeneous Catalysis of M.Sc. (Specialisation) at CU, 2021
This 16-page booklet discusses topics such as Lewis acid catalysts and catalytic cracking, hydrogenation catalysts, bifunctional catalysts, catalytic reforming, hydro-cracking, non-selective and selective oxidation catalysis, petrochemicals industry (reactions of ethene, propene, butene, aromatics), catalyst deactivation and reactivation, abatement of nitrogen oxides and of industrial odours from industrial effluents, and catalytic converters for automobile exhausts. (Here several illustrations are borrowed from the book Heterogeneous Catalysis: Principles and Applications, 2nd Ed., by G. C. Bond; and also another one from a web source.)
Introductory Undergraduate Practical Physical Chemistry
This 44-page booklet starts with some basic ideas on chemistry practical such as basic concepts related to weighing, diluting solutions, preparing one solution in another solution medium, calculating concentrations (such as molarity) of bottled liquids from data on the bottles. Then it discusses the most popular undergraduate physical chemistry experiments such as kinetics of acid-catalysed hydrolysis of ester, mutual solubility of phenol and water, conductometric acid-base titrations, verification of Debye-Huckel-Onsager equation, surface tension of solutions using drop number method, viscosity of solution using Ostwald viscometer, specific rotation of sucrose, verification of Beer's law of absorption, kinetics of base-catalysed hydrolysis of ester, pH-metric acid-base titrations, verification of Henderson equation for buffers, and Job's method for coloured metal-ligand complexes.
Practical Physical Chemistry Experiments for CU B.Sc. 1st Semester etc.: This 13-page booklet discusses some specific physical chemistry experiments in the present B.Sc. 1st Semester syllabus such as surface tension determination by both drop number and drop weight methods, surface tension of detergent solutions, viscosity of sugar and polymer solutions, preparation of buffer solutions, etc.
Practical Physical Chemistry in Calorimetry: This 9-page booklet discusses three thermochemistry experiments using calorimeter, namely heat capacity of calorimeter using hot and cold water, standard enthalpy of neutralisation of a strong acid and a strong base, and the standard enthalpy of ionisation of a weak acid.
Practical Physical Chemistry Experiments for CU M.Sc. 1st Semester etc.: This 20-page booklet discusses some postgraduate chemistry level experiments such as constructing triangular plot phase diagram for ternary phase equilibrium, determining molar mass of a polymer by viscometric method, study of the equilibrium between iodine - iodide ion and tri-iodide ion by distribution method, determining the formula of cuprammonium complex ion, variation of solubility of calcium sulphate in water with ionic strength by complexometric titrations, colorimetric determination of cupric ions, etc.
Three Experiments in HS (Assam State's Senior Secondary) Course in lieu of Project: This booklet discusses the three chemistry experiments in the present higher secondary chemistry 2nd year course in lieu of project work, namely (i) purification by dialysis of an aqueous starch sol containing ionic impurities, (ii) determination of the enthalpy of neutralisation of a strong acid and a strong base (using an old plastic mineral water bottle in place of the calorimeter), and (iii) separation of the components of a ink mixture by paper chromatography.
Redox Titration Experiments, Mohr's Salt Preparation and Organic Sample Tests in HS (Senior Secondary) Course: These pages at first discuss two preliminary redox titration experiments (Mohr's salt solution vs. KMnO4 solution in acid medium and oxalic acid vs. KMnO4 solution in acidic medium) within the said course (devoid of any preparation step for the solutions to be used), in the format containing aim, theory, procedure, observations, calculations and result sections, along with some detailed illustrated explanations. Next, it discusses the Mohr's Salt Preparation starting from hydrated ferrous sulphate and ammonium sulphate, and the common simplest qualitative tests for organic compounds, both experiments also being part of that same 2nd year course.
Related: Plotting and Interpreting Graphs (Presentation)
This is an introductory 12-page presentation on working with graphical plots for the first year undergraduate students in chemistry.
This 19-page booklet discusses the undergraduate/postgraduate chemistry level concepts and ideas in Errors and Deviations, Types of Errors, Correlation, Linear Regression (Least Square Fitting) and Tests of Significance related to Hypothesis Testing (such as Q- and t- tests), stressing on in depth understanding as well as the ability to do the related quantitative calculations.
Online Data Analysis Class Materials of M.Sc. 2nd Semester at CU, 2021: These are the corresponding class notes (total 64 pages with large fonts), containing some additional insights and numerical problems, and in particular the tests of significance topic is introduced more lucidly here.
This 17-page booklet discusses various topics in undergraduate/postgraduate level polymer chemistry such as various analysis techniques for polymers, testing of polymers, rheology (deformation behaviour) of polymers with models, the polymer molar mass determination techniques light scattering and ultracentrifugation, frictional properties of polymers, and conformation of polymer chains in solutions with various models. [This particular set of discussions is not fully original, sometimes a few things were explained for the students using some text rewritten from some books.]
Discussions for a Chemistry-Related Skill Enhancement Course (SEC) at CU:
The Methodology Part of My PhD Thesis (2008) Discussing Some Computational Chemistry Methods
This 37-page thesis chapter discusses the construction of the molecular models required for that research investigation, using a few molecule modelling software, followed by various quantum mechanical (QM) and molecular mechanics (MM) methods employed along with the various software used and a few software developed, and also some specific molecular visualisation software used such as ViewMol3D, MDL Chime and gOpenMol. As usual, it ends with an extensive set of properly cited references. [The topic of my PhD research was "A Theoretical Investigation into the Origin of Anti-Tumour Activities of Several Derivatives of 2,5 Diphenyl Furan System, and Development of Some Requisite Modelling Software", done under the guidance of Prof. Chitrani Medhi (Retired) at Gauhati University, Guwahati.]
This 47-page booklet discusses the postgraduate/research level topics of drawing 2-D molecular structure drawings using BKChem and BIOVIA Draw, constructing 3-D molecular models using Avogadro, obtaining bio-macromolecule models from wwPDB and their refinements, MM-MD (molecular mechanics and molecular dynamics) and QM (quantum mechanics) computations of chemical entities as well as molecular docking using various free software, stressing on understanding as well as the ability to practically do such modelling/computations. In addition, the appendices have explanations about files and folders, command-line interfaces for Windows and Linux OS and about using office applications for science communications.
My related discussions hosted in other web sites:
Great Yet Free Computational Chemistry Applications and Installing, Learning Fast and Using FORTRAN in One's PC
Related: Twenty-five Multiple-Choice Questions on Basic Science (Meant Mainly for Indians), Designed in 2020
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