[ WebToolTip com ] Udemy - Master Computational Chemistry Simulations with Gaussian
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| Torrent Hash : | 46EA4A26B10060885B137B9993B47B6B1506B096 |
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| Torrent Size : | 2.56 GB |
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[ WebToolTip com ] Udemy - Master Computational Chemistry Simulations with Gaussian
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Torrent File Content (67 files)
[ WebToolTip.com ] Udemy - Master Computational Chemistry Simulations with Gaussian
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180 bytes
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1 - Introduction/1 -Introduction.mp4 -
1 - Introduction/1 -Introduction.mp4 -
43.69 MB
10 - Restricted, Unrestricted and Restricted Open HF calculations & Spin Contaminatio/1 -Restricted open and unrestricted HF.mp4 -
5.56 MB
10 - Restricted, Unrestricted and Restricted Open HF calculations & Spin Contaminatio/2 -RHF, UHF and ROHF calculations for twisted ethene.mp4 -
36.38 MB
11 - Post Hartee Fock method calculations/1 -Calculations with CCSD(T).mp4 -
37.37 MB
12 - Density functional theory/1 -DFT functionals by their classification and construction.mp4 -
100.43 MB
12 - Density functional theory/2 -Applying different functionals and Basis sets in a calculation.mp4 -
26.9 MB
12 - Density functional theory/3 -Keywords for DFT functionals and the caution required.mp4 -
19.74 MB
13 - Basis sets/1 -Polarization and Diffuse functions in basis sets.mp4 -
52.34 MB
13 - Basis sets/2 -Pseudopotential basis sets.mp4 -
16.39 MB
13 - Basis sets/3 -Applying mixed basis set in a calculation.mp4 -
85.43 MB
13 - Basis sets/4 -basis set exchange.mp4 -
49.96 MB
14 - Automation/1 -Automation -Apprach 1.mp4 -
48.77 MB
14 - Automation/2 -Automation-Approach 2.mp4 -
52.55 MB
15 - Understanding Computational Methodology of a Research Article/1 -Research Paper 1-Computational Methodology.mp4 -
95.4 MB
16 - Cost and Accuracy/1 -Cost and accuracy of Ab Initio (HF and post HF) and DFT methods and their limit.mp4 -
57.27 MB
16 - Cost and Accuracy/2 -Typical errors of different methods and the suitable choice of method for calc.mp4 -
62.65 MB
17 - Approaches to reduce computational cost/1 -Approach 1-Truncation.mp4 -
29.73 MB
17 - Approaches to reduce computational cost/2 -Mixed Basis set.mp4 -
9.51 MB
17 - Approaches to reduce computational cost/3 -Mixed level method.mp4 -
42.61 MB
17 - Approaches to reduce computational cost/4 -Computational Resources.mp4 -
16.77 MB
17 - Approaches to reduce computational cost/5 -MultiLayered methods (ONION, QMMM).mp4 -
33.53 MB
2 - Installation and General Comments/1 -Gaussian and GaussView Installation.mp4 -
109.54 MB
2 - Installation and General Comments/2 -General comments.mp4 -
35.05 MB
2 - Installation and General Comments/3 -Display format settings of GaussView.mp4 -
41.01 MB
2 - Installation and General Comments/4 -Classification of Computational Chemistry Methods and Softwares.mp4 -
31.41 MB
3 - Drawing structures using GaussView/1 -Drawing the molecule of n-hexane using GaussView.mp4 -
56.43 MB
3 - Drawing structures using GaussView/2 -Drawing the Structure of Binaphthalene Based Molecule.mp4 -
74.83 MB
3 - Drawing structures using GaussView/3 -Drawing the Structure of a Transition Metal Complex.mp4 -
24.99 MB
3 - Drawing structures using GaussView/4 -Drawing Nitrobenzene Molecule.mp4 -
10.32 MB
3 - Drawing structures using GaussView/5 -Drawing an Oligopeptide Molecule.mp4 -
12.37 MB
3 - Drawing structures using GaussView/6 -Nucleoside and Biological Molecules.mp4 -
14.3 MB
3 - Drawing structures using GaussView/7 -Ghost and Dummy Atoms.mp4 -
8.18 MB
4 - Obtaining and Drawing Structures of Complex Molecules/1 -Obtaining Structure from Crystallographic Information FIle (CIF).mp4 -
55.21 MB
4 - Obtaining and Drawing Structures of Complex Molecules/2 -Structure from Cartesian Coordinates of a Published Article.mp4 -
82.07 MB
4 - Obtaining and Drawing Structures of Complex Molecules/3 -Drawing the Structure of a Complex Natural Product.mp4 -
82.39 MB
5 - Optimization of Minima and their Characterization/1 -Setting up Methane Optimization.mp4 -
68.8 MB
5 - Optimization of Minima and their Characterization/10 -Vibrational Mode Analysis for Methane.mp4 -
21.47 MB
5 - Optimization of Minima and their Characterization/11 -Electronic, thermal, zero point and Gibbs Free energies and Enthalpies.mp4 -
29.33 MB
5 - Optimization of Minima and their Characterization/12 -IR spectrum plotting and exporting data and spectrum using GaussView.mp4 -
28.34 MB
5 - Optimization of Minima and their Characterization/2 -Analyzing Methane Input file in Notepad.mp4 -
31.9 MB
5 - Optimization of Minima and their Characterization/3 -components of a Gaussian input file.mp4 -
23.75 MB
5 - Optimization of Minima and their Characterization/4 -Analyzing Optimization Process in GaussView.mp4 -
16.42 MB
5 - Optimization of Minima and their Characterization/5 -Analyzing Optimization Results Summary in GaussView.mp4 -
15.14 MB
5 - Optimization of Minima and their Characterization/6 -Convergence criteria of optimization in Gaussian.mp4 -
4.43 MB
5 - Optimization of Minima and their Characterization/7 -Convergence Criteria and Optimization Process.mp4 -
47.84 MB
5 - Optimization of Minima and their Characterization/8 -Exctracting Charges, Dipole Moments and Energies from the Log file.mp4 -
37.34 MB
5 - Optimization of Minima and their Characterization/9 -Frequency Calculation of Methane.mp4 -
13.88 MB
6 - Z-Matrix and Potential Energy Surface Scan/1 -Z-Matrix explanation.mp4 -
49.59 MB
6 - Z-Matrix and Potential Energy Surface Scan/2 -Rigid Scan of C-C bond length in ethane.mp4 -
71.73 MB
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