| 1 -Approach 1-Truncation.mp4 | 29.7 MB | ||
| 1 -Automation -Apprach 1.mp4 | 48.8 MB | ||
| 1 -Calculations with CCSD(T).mp4 | 37.4 MB | ||
| 1 -Cost and accuracy of Ab Initio (HF and post HF) and DFT methods and their limit.mp4 | 57.3 MB | ||
| 1 -DFT functionals by their classification and construction.mp4 | 100.4 MB | ||
| 1 -Drawing the molecule of n-hexane using GaussView.mp4 | 56.4 MB | ||
| 1 -Gaussian and GaussView Installation.mp4 | 109.5 MB | ||
| 1 -Input file for UV calculation.mp4 | 27.2 MB | ||
| 1 -Introduction.mp4 | 43.7 MB | ||
| 1 -Keto-enol tautomerization transition state-Guess structure from the relaxed scan.mp4 | 22.1 MB | ||
| 1 -Obtaining Structure from Crystallographic Information FIle (CIF).mp4 | 55.2 MB | ||
| 1 -Polarization and Diffuse functions in basis sets.mp4 | 52.3 MB | ||
| 1 -Research Paper 1-Computational Methodology.mp4 | 95.4 MB | ||
| 1 -Restricted open and unrestricted HF.mp4 | 5.6 MB | ||
| 1 -Running orbital calculations for Benzene.mp4 | 15.8 MB | ||
| 1 -Setting up Methane Optimization.mp4 | 68.8 MB | ||
| 1 -Z-Matrix explanation.mp4 | 49.6 MB | ||
| 10 -Vibrational Mode Analysis for Methane.mp4 | 21.5 MB | ||
| 11 -Electronic, thermal, zero point and Gibbs Free energies and Enthalpies.mp4 | 29.3 MB | ||
| 12 -IR spectrum plotting and exporting data and spectrum using GaussView.mp4 | 28.3 MB | ||
| 2 -Analyzing Methane Input file in Notepad.mp4 | 31.9 MB | ||
| 2 -Ananlyzing UV results, generate spectrum and export reults.mp4 | 50.8 MB | ||
| 2 -Applying different functionals and Basis sets in a calculation.mp4 | 26.9 MB | ||
| 2 -Automation-Approach 2.mp4 | 52.5 MB | ||
| 2 -Characterizing a transition state.mp4 | 21.3 MB | ||
| 2 -Drawing the Structure of Binaphthalene Based Molecule.mp4 | 74.8 MB | ||
| 2 -General comments.mp4 | 35.1 MB | ||
| 2 -Mixed Basis set.mp4 | 9.5 MB | ||
| 2 -Orbital analysis from the output file of benzene.mp4 | 43.9 MB | ||
| 2 -Pseudopotential basis sets.mp4 | 16.4 MB | ||
| 2 -RHF, UHF and ROHF calculations for twisted ethene.mp4 | 36.4 MB | ||
| 2 -Rigid Scan of C-C bond length in ethane.mp4 | 71.7 MB | ||
| 2 -Structure from Cartesian Coordinates of a Published Article.mp4 | 82.1 MB | ||
| 2 -Typical errors of different methods and the suitable choice of method for calc.mp4 | 62.6 MB | ||
| 3 -Analyzing the output of a rigid scan.mp4 | 29.6 MB | ||
| 3 -Applying mixed basis set in a calculation.mp4 | 85.4 MB | ||
| 3 -Confirmation of a transition state by Frequency Analysis.mp4 | 32.6 MB | ||
| 3 -Display format settings of GaussView.mp4 | 41 MB | ||
| 3 -Drawing the Structure of a Complex Natural Product.mp4 | 82.4 MB | ||
| 3 -Drawing the Structure of a Transition Metal Complex.mp4 | 25 MB | ||
| 3 -Keywords for DFT functionals and the caution required.mp4 | 19.7 MB | ||
| 3 -Mixed level method.mp4 | 42.6 MB | ||
| 3 -NMR spectrum calculations and analysis.mp4 | 57.2 MB | ||
| 3 -components of a Gaussian input file.mp4 | 23.8 MB | ||
| 4 -Analyzing Optimization Process in GaussView.mp4 | 16.4 MB | ||
| 4 -Classification of Computational Chemistry Methods and Softwares.mp4 | 31.4 MB | ||
| 4 -Computational Resources.mp4 | 16.8 MB | ||
| 4 -Drawing Nitrobenzene Molecule.mp4 | 10.3 MB | ||
| 4 -Potential Energy Surface of N2 Molecule.mp4 | 18.6 MB | ||
| 4 -Transition state of SN2 reaction-Guess from Chemical Intuition.mp4 | 37.9 MB | ||
| 4 -basis set exchange.mp4 | 50 MB | ||
| 5 -Analyzing Optimization Results Summary in GaussView.mp4 | 15.1 MB | ||
| 5 -Drawing an Oligopeptide Molecule.mp4 | 12.4 MB | ||
| 5 -MultiLayered methods (ONION, QMMM).mp4 | 33.5 MB | ||
| 5 -Normal mode analysis of transition state for SN2 reaction.mp4 | 11.8 MB | ||
| 5 -Potential Energy Surface of Ozone to isoozone.mp4 | 76.5 MB | ||
| 6 -Convergence criteria of optimization in Gaussian.mp4 | 4.4 MB | ||
| 6 -Nucleoside and Biological Molecules.mp4 | 14.3 MB | ||
| 6 -Relaxed Scan.mp4 | 31 MB | ||
| 6 -Transition state through synchronous transition method.mp4 | 56.8 MB | ||
| 7 -Convergence Criteria and Optimization Process.mp4 | 47.8 MB | ||
| 7 -Ghost and Dummy Atoms.mp4 | 8.2 MB | ||
| 7 -Relaxed scan to guess Transition State for Keto Enol Tautomerization.mp4 | 67.5 MB | ||
| 8 -Exctracting Charges, Dipole Moments and Energies from the Log file.mp4 | 37.3 MB | ||
| 9 -Frequency Calculation of Methane.mp4 | 13.9 MB | ||
| Bonus Resources.txt | 102.4 B | ||
| Get Bonus Downloads Here.url | 204.8 B | ||
| ▲ 67 total files | |||
Master Computational Chemistry Simulations with Gaussian
https://WebToolTip.com
Published 5/2025
MP4 | Video: h264, 1280x720 | Audio: AAC, 44.1 KHz, 2 Ch
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
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