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Language: English | Duration: 5h 58m | Size: 2.55 GB
Unlock the power of Gaussian for computational chemistry simulations in solving problem—designed for complete beginners
What you'll learn
Understand the fundamentals of computational chemistry and its real-world applications
Set up and run quantum chemistry simulations using Gaussian GaussView software
Build input files for tasks generally required for research projects like geometry optimization, frequency, energy and spectroscopic properties calculations
All possible apporaches to model transition states and studying reaction mechanisms
Choose the right theoretical methods (e.g., HF, DFT) and basis sets for various molecular systems
Analyze and interpret Gaussian output files to extract meaningful chemical insights
Troubleshoot common errors and optimize simulations for accuracy and efficiency
Understanding computational methodology and extracting useful information from the research articles in the field of computational chemistry
Gain confidence to apply computational tools in academic, research, or industrial settings — even with no prior experience
Requirements
No prior experience is needed, you will learn everything here in this course
VISITOR COMMENTS (0 )
FILE LIST
Filename
Size
~Get Your Files Here !/1 - Introduction/1 -Introduction.mp4
43.7 MB
~Get Your Files Here !/10 - Restricted, Unrestricted and Restricted Open HF calculations & Spin Contaminatio/1 -Restricted open and unrestricted HF.mp4
5.6 MB
~Get Your Files Here !/10 - Restricted, Unrestricted and Restricted Open HF calculations & Spin Contaminatio/2 -RHF, UHF and ROHF calculations for twisted ethene.mp4
36.4 MB
~Get Your Files Here !/11 - Post Hartee Fock method calculations/1 -Calculations with CCSD(T).mp4
37.4 MB
~Get Your Files Here !/12 - Density functional theory/1 -DFT functionals by their classification and construction.mp4
100.4 MB
~Get Your Files Here !/12 - Density functional theory/2 -Applying different functionals and Basis sets in a calculation.mp4
26.9 MB
~Get Your Files Here !/12 - Density functional theory/3 -Keywords for DFT functionals and the caution required.mp4
19.7 MB
~Get Your Files Here !/13 - Basis sets/1 -Polarization and Diffuse functions in basis sets.mp4
52.3 MB
~Get Your Files Here !/13 - Basis sets/2 -Pseudopotential basis sets.mp4
16.4 MB
~Get Your Files Here !/13 - Basis sets/3 -Applying mixed basis set in a calculation.mp4
85.4 MB
~Get Your Files Here !/13 - Basis sets/4 -basis set exchange.mp4
50 MB
~Get Your Files Here !/14 - Automation/1 -Automation -Apprach 1.mp4
48.8 MB
~Get Your Files Here !/14 - Automation/2 -Automation-Approach 2.mp4
52.5 MB
~Get Your Files Here !/15 - Understanding Computational Methodology of a Research Article/1 -Research Paper 1-Computational Methodology.mp4
95.4 MB
~Get Your Files Here !/16 - Cost and Accuracy/1 -Cost and accuracy of Ab Initio (HF and post HF) and DFT methods and their limit.mp4
57.3 MB
~Get Your Files Here !/16 - Cost and Accuracy/2 -Typical errors of different methods and the suitable choice of method for calc.mp4
62.6 MB
~Get Your Files Here !/17 - Approaches to reduce computational cost/1 -Approach 1-Truncation.mp4
29.7 MB
~Get Your Files Here !/17 - Approaches to reduce computational cost/2 -Mixed Basis set.mp4
9.5 MB
~Get Your Files Here !/17 - Approaches to reduce computational cost/3 -Mixed level method.mp4
42.6 MB
~Get Your Files Here !/17 - Approaches to reduce computational cost/4 -Computational Resources.mp4
16.8 MB
~Get Your Files Here !/17 - Approaches to reduce computational cost/5 -MultiLayered methods (ONION, QMMM).mp4
33.5 MB
~Get Your Files Here !/2 - Installation and General Comments/1 -Gaussian and GaussView Installation.mp4
109.5 MB
~Get Your Files Here !/2 - Installation and General Comments/2 -General comments.mp4
35.1 MB
~Get Your Files Here !/2 - Installation and General Comments/3 -Display format settings of GaussView.mp4
41 MB
~Get Your Files Here !/2 - Installation and General Comments/4 -Classification of Computational Chemistry Methods and Softwares.mp4
31.4 MB
~Get Your Files Here !/3 - Drawing structures using GaussView/1 -Drawing the molecule of n-hexane using GaussView.mp4
56.4 MB
~Get Your Files Here !/3 - Drawing structures using GaussView/2 -Drawing the Structure of Binaphthalene Based Molecule.mp4
74.8 MB
~Get Your Files Here !/3 - Drawing structures using GaussView/3 -Drawing the Structure of a Transition Metal Complex.mp4
25 MB
~Get Your Files Here !/3 - Drawing structures using GaussView/4 -Drawing Nitrobenzene Molecule.mp4
10.3 MB
~Get Your Files Here !/3 - Drawing structures using GaussView/5 -Drawing an Oligopeptide Molecule.mp4
12.4 MB
~Get Your Files Here !/3 - Drawing structures using GaussView/6 -Nucleoside and Biological Molecules.mp4
14.3 MB
~Get Your Files Here !/3 - Drawing structures using GaussView/7 -Ghost and Dummy Atoms.mp4
8.2 MB
~Get Your Files Here !/4 - Obtaining and Drawing Structures of Complex Molecules/1 -Obtaining Structure from Crystallographic Information FIle (CIF).mp4
55.2 MB
~Get Your Files Here !/4 - Obtaining and Drawing Structures of Complex Molecules/2 -Structure from Cartesian Coordinates of a Published Article.mp4
82.1 MB
~Get Your Files Here !/4 - Obtaining and Drawing Structures of Complex Molecules/3 -Drawing the Structure of a Complex Natural Product.mp4
82.4 MB
~Get Your Files Here !/5 - Optimization of Minima and their Characterization/1 -Setting up Methane Optimization.mp4
68.8 MB
~Get Your Files Here !/5 - Optimization of Minima and their Characterization/10 -Vibrational Mode Analysis for Methane.mp4
21.5 MB
~Get Your Files Here !/5 - Optimization of Minima and their Characterization/11 -Electronic, thermal, zero point and Gibbs Free energies and Enthalpies.mp4
29.3 MB
~Get Your Files Here !/5 - Optimization of Minima and their Characterization/12 -IR spectrum plotting and exporting data and spectrum using GaussView.mp4
28.3 MB
~Get Your Files Here !/5 - Optimization of Minima and their Characterization/2 -Analyzing Methane Input file in Notepad.mp4
31.9 MB
~Get Your Files Here !/5 - Optimization of Minima and their Characterization/3 -components of a Gaussian input file.mp4
23.8 MB
~Get Your Files Here !/5 - Optimization of Minima and their Characterization/4 -Analyzing Optimization Process in GaussView.mp4
16.4 MB
~Get Your Files Here !/5 - Optimization of Minima and their Characterization/5 -Analyzing Optimization Results Summary in GaussView.mp4
15.1 MB
~Get Your Files Here !/5 - Optimization of Minima and their Characterization/6 -Convergence criteria of optimization in Gaussian.mp4
4.4 MB
~Get Your Files Here !/5 - Optimization of Minima and their Characterization/7 -Convergence Criteria and Optimization Process.mp4
47.8 MB
~Get Your Files Here !/5 - Optimization of Minima and their Characterization/8 -Exctracting Charges, Dipole Moments and Energies from the Log file.mp4
37.3 MB
~Get Your Files Here !/5 - Optimization of Minima and their Characterization/9 -Frequency Calculation of Methane.mp4
13.9 MB
~Get Your Files Here !/6 - Z-Matrix and Potential Energy Surface Scan/1 -Z-Matrix explanation.mp4
49.6 MB
~Get Your Files Here !/6 - Z-Matrix and Potential Energy Surface Scan/2 -Rigid Scan of C-C bond length in ethane.mp4
71.7 MB
~Get Your Files Here !/6 - Z-Matrix and Potential Energy Surface Scan/3 -Analyzing the output of a rigid scan.mp4
29.6 MB
~Get Your Files Here !/6 - Z-Matrix and Potential Energy Surface Scan/4 -Potential Energy Surface of N2 Molecule.mp4
18.6 MB
~Get Your Files Here !/6 - Z-Matrix and Potential Energy Surface Scan/5 -Potential Energy Surface of Ozone to isoozone.mp4
76.5 MB
~Get Your Files Here !/6 - Z-Matrix and Potential Energy Surface Scan/6 -Relaxed Scan.mp4
31 MB
~Get Your Files Here !/6 - Z-Matrix and Potential Energy Surface Scan/7 -Relaxed scan to guess Transition State for Keto Enol Tautomerization.mp4
67.5 MB
~Get Your Files Here !/7 - Modelling a transition state/1 -Keto-enol tautomerization transition state-Guess structure from the relaxed scan.mp4
22.1 MB
~Get Your Files Here !/7 - Modelling a transition state/2 -Characterizing a transition state.mp4
21.3 MB
~Get Your Files Here !/7 - Modelling a transition state/3 -Confirmation of a transition state by Frequency Analysis.mp4
32.6 MB
~Get Your Files Here !/7 - Modelling a transition state/4 -Transition state of SN2 reaction-Guess from Chemical Intuition.mp4
37.9 MB
~Get Your Files Here !/7 - Modelling a transition state/5 -Normal mode analysis of transition state for SN2 reaction.mp4
11.8 MB
~Get Your Files Here !/7 - Modelling a transition state/6 -Transition state through synchronous transition method.mp4
56.8 MB
~Get Your Files Here !/8 - Spectroscopic Properties/1 -Input file for UV calculation.mp4
27.2 MB
~Get Your Files Here !/8 - Spectroscopic Properties/2 -Ananlyzing UV results, generate spectrum and export reults.mp4
50.8 MB
~Get Your Files Here !/8 - Spectroscopic Properties/3 -NMR spectrum calculations and analysis.mp4
57.2 MB
~Get Your Files Here !/9 - Orbital analysis and Molecular Electrostatic Potential/1 -Running orbital calculations for Benzene.mp4
15.8 MB
~Get Your Files Here !/9 - Orbital analysis and Molecular Electrostatic Potential/2 -Orbital analysis from the output file of benzene.mp4
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