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

File Name

Size

Get Bonus Downloads Here.url

180 B

~Get Your Files Here !/1 - Introduction/1 -Introduction.mp4

44 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 MB

~Get Your Files Here !/11 - Post Hartee Fock method calculations/1 -Calculations with CCSD(T).mp4

37 MB

~Get Your Files Here !/12 - Density functional theory/1 -DFT functionals by their classification and construction.mp4

100 MB

~Get Your Files Here !/12 - Density functional theory/2 -Applying different functionals and Basis sets in a calculation.mp4

27 MB

~Get Your Files Here !/12 - Density functional theory/3 -Keywords for DFT functionals and the caution required.mp4

20 MB

~Get Your Files Here !/13 - Basis sets/1 -Polarization and Diffuse functions in basis sets.mp4

52 MB

~Get Your Files Here !/13 - Basis sets/2 -Pseudopotential basis sets.mp4

16 MB

~Get Your Files Here !/13 - Basis sets/3 -Applying mixed basis set in a calculation.mp4

85 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

49 MB

~Get Your Files Here !/14 - Automation/2 -Automation-Approach 2.mp4

52 MB

~Get Your Files Here !/15 - Understanding Computational Methodology of a Research Article/1 -Research Paper 1-Computational Methodology.mp4

95 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 MB

~Get Your Files Here !/16 - Cost and Accuracy/2 -Typical errors of different methods and the suitable choice of method for calc.mp4

63 MB

~Get Your Files Here !/17 - Approaches to reduce computational cost/1 -Approach 1-Truncation.mp4

30 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

43 MB

~Get Your Files Here !/17 - Approaches to reduce computational cost/4 -Computational Resources.mp4

17 MB

~Get Your Files Here !/17 - Approaches to reduce computational cost/5 -MultiLayered methods (ONION, QMMM).mp4

34 MB

~Get Your Files Here !/2 - Installation and General Comments/1 -Gaussian and GaussView Installation.mp4

110 MB

~Get Your Files Here !/2 - Installation and General Comments/2 -General comments.mp4

35 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 MB

~Get Your Files Here !/3 - Drawing structures using GaussView/1 -Drawing the molecule of n-hexane using GaussView.mp4

56 MB

~Get Your Files Here !/3 - Drawing structures using GaussView/2 -Drawing the Structure of Binaphthalene Based Molecule.mp4

75 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 MB

~Get Your Files Here !/3 - Drawing structures using GaussView/5 -Drawing an Oligopeptide Molecule.mp4

12 MB

~Get Your Files Here !/3 - Drawing structures using GaussView/6 -Nucleoside and Biological Molecules.mp4

14 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 MB

~Get Your Files Here !/4 - Obtaining and Drawing Structures of Complex Molecules/2 -Structure from Cartesian Coordinates of a Published Article.mp4

82 MB

~Get Your Files Here !/4 - Obtaining and Drawing Structures of Complex Molecules/3 -Drawing the Structure of a Complex Natural Product.mp4

82 MB

~Get Your Files Here !/5 - Optimization of Minima and their Characterization/1 -Setting up Methane Optimization.mp4

69 MB

~Get Your Files Here !/5 - Optimization of Minima and their Characterization/10 -Vibrational Mode Analysis for Methane.mp4

22 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 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 MB

~Get Your Files Here !/5 - Optimization of Minima and their Characterization/2 -Analyzing Methane Input file in Notepad.mp4

32 MB

~Get Your Files Here !/5 - Optimization of Minima and their Characterization/3 -components of a Gaussian input file.mp4

24 MB

~Get Your Files Here !/5 - Optimization of Minima and their Characterization/4 -Analyzing Optimization Process in GaussView.mp4

16 MB

~Get Your Files Here !/5 - Optimization of Minima and their Characterization/5 -Analyzing Optimization Results Summary in GaussView.mp4

15 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

48 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 MB

~Get Your Files Here !/5 - Optimization of Minima and their Characterization/9 -Frequency Calculation of Methane.mp4

14 MB

~Get Your Files Here !/6 - Z-Matrix and Potential Energy Surface Scan/1 -Z-Matrix explanation.mp4

50 MB

~Get Your Files Here !/6 - Z-Matrix and Potential Energy Surface Scan/2 -Rigid Scan of C-C bond length in ethane.mp4

72 MB

~Get Your Files Here !/6 - Z-Matrix and Potential Energy Surface Scan/3 -Analyzing the output of a rigid scan.mp4

30 MB

~Get Your Files Here !/6 - Z-Matrix and Potential Energy Surface Scan/4 -Potential Energy Surface of N2 Molecule.mp4

19 MB

~Get Your Files Here !/6 - Z-Matrix and Potential Energy Surface Scan/5 -Potential Energy Surface of Ozone to isoozone.mp4

76 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

68 MB

~Get Your Files Here !/7 - Modelling a transition state/1 -Keto-enol tautomerization transition state-Guess structure from the relaxed scan.mp4

22 MB

~Get Your Files Here !/7 - Modelling a transition state/2 -Characterizing a transition state.mp4

21 MB

~Get Your Files Here !/7 - Modelling a transition state/3 -Confirmation of a transition state by Frequency Analysis.mp4

33 MB

~Get Your Files Here !/7 - Modelling a transition state/4 -Transition state of SN2 reaction-Guess from Chemical Intuition.mp4

38 MB

~Get Your Files Here !/7 - Modelling a transition state/5 -Normal mode analysis of transition state for SN2 reaction.mp4

12 MB

~Get Your Files Here !/7 - Modelling a transition state/6 -Transition state through synchronous transition method.mp4

57 MB

~Get Your Files Here !/8 - Spectroscopic Properties/1 -Input file for UV calculation.mp4

27 MB

~Get Your Files Here !/8 - Spectroscopic Properties/2 -Ananlyzing UV results, generate spectrum and export reults.mp4

51 MB

~Get Your Files Here !/8 - Spectroscopic Properties/3 -NMR spectrum calculations and analysis.mp4

57 MB

~Get Your Files Here !/9 - Orbital analysis and Molecular Electrostatic Potential/1 -Running orbital calculations for Benzene.mp4

16 MB

~Get Your Files Here !/9 - Orbital analysis and Molecular Electrostatic Potential/2 -Orbital analysis from the output file of benzene.mp4

44 MB

~Get Your Files Here !/Bonus Resources.txt

70 B