[ WebToolTip.com ] Udemy - Master Computational Chemistry Simulations with Gaussian

• [ WebToolTip.com ] Udemy - Master Computational Chemistry Simulations with Gaussian
• ~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 43.9 MB
• ~Get Your Files Here !/Bonus Resources.txt 70 B

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